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

Systemtic Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-chlorophenyl)-1-oxopropyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-chlorophenyl)propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(3-chlorophenyl)propanoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H22ClNO3S MolecularWeight: 427.94368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H22ClNO3S/c1-3-28-23(27)21-19(17-10-7-15(2)8-11-17)14-29-22(21)25-20(26)12-9-16-5-4-6-18(24)13-16/h4-8,10-11,13-14H,3,9,12H2,1-2H3,(H,25,26)