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

Systemtic Name: ethyl 2-[[2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(2-benzyloxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-(2-phenylmethoxyphenyl)prop-2-enyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(2-benzoxyphenyl)-2-cyano-acryloyl]amino]-4-(4-methoxyphenyl)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=C(C=C2)OC)NC(=O)C(=CC3=CC=CC=C3OCC4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C(=CC3=CC=CC=C3OCC4=CC=CC=C4)C#N

InChI

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