methyl 4-(3-chlorophenyl)-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(3-chlorophenyl)-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(3-chlorophenyl)-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5-methyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-2-(hydrocinnamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCC2=CC=CC=C2)C(=O)OC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCC2=CC=CC=C2)C(=O)OC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H20ClNO3S/c1-14-19(16-9-6-10-17(23)13-16)20(22(26)27-2)21(28-14)24-18(25)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,25)