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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-benzyloxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-benzoxy-3-methoxy-phenyl)-2-cyano-acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H26N2O5S MolecularWeight: 538.61354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H26N2O5S/c1-3-37-31(35)28-25(23-12-8-5-9-13-23)20-39-30(28)33-29(34)24(18-32)16-22-14-15-26(27(17-22)36-2)38-19-21-10-6-4-7-11-21/h4-17,20H,3,19H2,1-2H3,(H,33,34)/b24-16+