1,3-thiazol-4-yl 3-[(4-chloranyl-2-methyl-phenyl)amino]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: 1,3-thiazol-4-yl 3-[(4-chloranyl-2-methyl-phenyl)amino]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: thiazol-4-yl 3-(4-chloro-2-methyl-anilino)-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 3-(4-chloro-2-methylanilino)-5-(methylthio)-2-thiophenecarboxylic acid 4-thiazolyl ester IUPAC Name: 1,3-thiazol-4-yl 3-(4-chloro-2-methylanilino)-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 3-(4-chloro-2-methyl-anilino)-5-(methylthio)thiophene-2-carboxylic acid thiazol-4-yl ester Formula: C16H13ClN2O2S3 MolecularWeight: 396.93462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=C(SC(=C2)SC)C(=O)OC3=CSC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=C(SC(=C2)SC)C(=O)OC3=CSC=N3

InChI

InChI=1S/C16H13ClN2O2S3/c1-9-5-10(17)3-4-11(9)19-12-6-14(22-2)24-15(12)16(20)21-13-7-23-8-18-13/h3-8,19H,1-2H3