methyl 4-[(3-chlorophenyl)amino]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[(3-chlorophenyl)amino]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-(3-chloroanilino)-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-(3-chloroanilino)-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chloroanilino)-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-(3-chloroanilino)-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C13H12ClNO2S2 MolecularWeight: 313.82288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)NC2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H12ClNO2S2/c1-17-12(16)11-7-10(13(18-2)19-11)15-9-5-3-4-8(14)6-9/h3-7,15H,1-2H3