ethyl 2-[[2-cyano-3-(5-methoxy-2-oxidanyl-phenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-cyano-3-(5-methoxy-2-oxidanyl-phenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(2-hydroxy-5-methoxy-phenyl)prop-2-enoyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(2-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(2-hydroxy-5-methoxy-phenyl)acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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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=C(C=CC(=C3)OC)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O5S/c1-4-32-25(30)22-20(16-7-5-15(2)6-8-16)14-33-24(22)27-23(29)18(13-26)11-17-12-19(31-3)9-10-21(17)28/h5-12,14,28H,4H2,1-3H3,(H,27,29)