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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-benzyloxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-benzoxyphenyl)-2-cyano-acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C31H26N2O4S MolecularWeight: 522.61414

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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)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)/C#N

InChI

InChI=1S/C31H26N2O4S/c1-3-36-31(35)28-27(24-13-9-21(2)10-14-24)20-38-30(28)33-29(34)25(18-32)17-22-11-15-26(16-12-22)37-19-23-7-5-4-6-8-23/h4-17,20H,3,19H2,1-2H3,(H,33,34)/b25-17+