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

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(4-chlorophenyl)acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H20ClNO3S MolecularWeight: 425.9278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C=CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H20ClNO3S/c1-3-28-23(27)21-19(17-9-4-15(2)5-10-17)14-29-22(21)25-20(26)13-8-16-6-11-18(24)12-7-16/h4-14H,3H2,1-2H3,(H,25,26)