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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[(E)-2-cyano-3-(4-hexoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[(E)-2-cyano-3-(4-hexoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C29H29ClN2O4S MolecularWeight: 537.06956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C29H29ClN2O4S/c1-3-5-6-7-16-36-24-14-8-20(9-15-24)17-22(18-31)27(33)32-28-26(29(34)35-4-2)25(19-37-28)21-10-12-23(30)13-11-21/h8-15,17,19H,3-7,16H2,1-2H3,(H,32,33)/b22-17+