ethyl 2-[[3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(4-chlorophenyl)-2-cyano-acryloyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C(=CC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C(=CC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C25H21ClN2O3S/c1-3-16-5-9-18(10-6-16)21-15-32-24(22(21)25(30)31-4-2)28-23(29)19(14-27)13-17-7-11-20(26)12-8-17/h5-13,15H,3-4H2,1-2H3,(H,28,29)