loading...| Preferred Name |
carboxin |
|
| Synonyms |
2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin 2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin 2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin 5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide Carbathiin Carboxine oxatin |
|
| Definitions |
An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts normally that is normally used as a seed treatment. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3405 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:C11255 MetaCyc:CPD0-1366 PDBeChem:CBE PMID:24119086 PMID:23261124 Pesticides:carboxin Beilstein:983249 LINCS:LSM-25660 CAS:5234-68-4 Reaxys:983249 PMID:24785712 PMID:21228470 PMID:23047320 PPDB:122 |
|
| definition |
An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts normally that is normally used as a seed treatment. |
|
| formula |
C12H13NO2S |
|
| has_exact_synonym |
2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin 2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin 2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin 5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide 5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide Carbathiin Carboxine oxatin |
|
| id |
CHEBI:3405 |
|
| in_subset | ||
| inchi |
InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) |
|
| inchikey |
GYSSRZJIHXQEHQ-UHFFFAOYSA-N |
|
| label |
carboxin |
|
| mass |
235.30200 |
|
| monoisotopicmass |
235.06670 |
|
| notation |
CHEBI:3405 |
|
| prefLabel |
carboxin |
|
| RO_0000087 | ||
| smiles |
CC1=C(SCCO1)C(=O)Nc1ccccc1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_51751 http://purl.obolibrary.org/obo/CHEBI_140325 http://purl.obolibrary.org/obo/CHEBI_13248 http://purl.obolibrary.org/obo/CHEBI_38104 |