ethyl 2-[(4-chloranyl-2-methyl-phenyl)amino]-5-phenylsulfanyl-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-2-methyl-phenyl)amino]-5-phenylsulfanyl-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-(4-chloro-2-methyl-anilino)-5-phenylsulfanyl-thiazole-4-carboxylate CAS Name: 2-(4-chloro-2-methylanilino)-5-(phenylthio)-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chloro-2-methylanilino)-5-phenylsulfanyl-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-chloro-2-methyl-anilino)-5-(phenylthio)thiazole-4-carboxylic acid ethyl ester Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)NC2=C(C=C(C=C2)Cl)C)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)NC2=C(C=C(C=C2)Cl)C)SC3=CC=CC=C3

InChI

InChI=1S/C19H17ClN2O2S2/c1-3-24-17(23)16-18(25-14-7-5-4-6-8-14)26-19(22-16)21-15-10-9-13(20)11-12(15)2/h4-11H,3H2,1-2H3,(H,21,22)