ethyl 4-(2-chlorophenyl)-2-[2-[(3-methylphenyl)amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[2-[(3-methylphenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[[2-(3-methylanilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[2-(3-methylanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[[2-(3-methylanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-(m-toluidino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CNC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CNC3=CC=CC(=C3)C

InChI

InChI=1S/C22H21ClN2O3S/c1-3-28-22(27)20-17(16-9-4-5-10-18(16)23)13-29-21(20)25-19(26)12-24-15-8-6-7-14(2)11-15/h4-11,13,24H,3,12H2,1-2H3,(H,25,26)