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

Systemtic Name: methyl 4-(3-chlorophenyl)-5-methyl-2-(2-phenylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(3-chlorophenyl)-5-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5-methyl-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-5-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-5-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CC2=CC=CC=C2)C(=O)OC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CC2=CC=CC=C2)C(=O)OC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H18ClNO3S/c1-13-18(15-9-6-10-16(22)12-15)19(21(25)26-2)20(27-13)23-17(24)11-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,23,24)