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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H23ClN2O5S MolecularWeight: 510.98922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O5S/c1-4-33-21-11-6-16(13-22(21)32-3)12-18(14-28)24(30)29-25-23(26(31)34-5-2)20(15-35-25)17-7-9-19(27)10-8-17/h6-13,15H,4-5H2,1-3H3,(H,29,30)