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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[3-(4-ethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[3-(4-ethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[3-(4-ethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[(3-p-phenetylacryloyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C24H22ClNO4S MolecularWeight: 455.95378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C24H22ClNO4S/c1-3-29-19-12-5-16(6-13-19)7-14-21(27)26-23-22(24(28)30-4-2)20(15-31-23)17-8-10-18(25)11-9-17/h5-15H,3-4H2,1-2H3,(H,26,27)