[4-[(Z)-2-cyano-3-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] furan-2-carboxylate

Systemtic Name: [4-[(Z)-2-cyano-3-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(Z)-2-cyano-3-[(3-methoxycarbonyl-5-phenyl-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(Z)-2-cyano-3-[(3-methoxycarbonyl-5-phenyl-2-thiophenyl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-[(3-methoxycarbonyl-5-phenylthiophen-2-yl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(Z)-3-[(3-carbomethoxy-5-phenyl-2-thienyl)amino]-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C29H22N2O7S MolecularWeight: 542.55918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC(=O)C4=CC=CO4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC(=O)C4=CC=CO4

InChI

InChI=1S/C29H22N2O7S/c1-3-36-24-15-18(11-12-22(24)38-29(34)23-10-7-13-37-23)14-20(17-30)26(32)31-27-21(28(33)35-2)16-25(39-27)19-8-5-4-6-9-19/h4-16H,3H2,1-2H3,(H,31,32)/b20-14-