[4-[(E)-2-cyano-3-[(3-methoxycarbonylthiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(3-methoxycarbonylthiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-[(3-methoxycarbonyl-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-2-cyano-3-[(3-methoxycarbonyl-2-thiophenyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(3-methoxycarbonylthiophen-2-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-3-[(3-carbomethoxy-2-thienyl)amino]-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H16N2O7S MolecularWeight: 452.43664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)OC(=O)C3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC)OC(=O)C3=CC=CO3

InChI

InChI=1S/C22H16N2O7S/c1-28-18-11-13(5-6-16(18)31-22(27)17-4-3-8-30-17)10-14(12-23)19(25)24-20-15(7-9-32-20)21(26)29-2/h3-11H,1-2H3,(H,24,25)/b14-10+