4-[5-[(E)-2-cyano-3-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[(E)-2-cyano-3-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(E)-2-cyano-3-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 4-[5-[(E)-2-cyano-3-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[(E)-2-cyano-3-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[(E)-3-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid Formula: C28H20N2O6S MolecularWeight: 512.5332

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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(O3)C4=CC=C(C=C4)C(=O)O)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/C#N

InChI

InChI=1S/C28H20N2O6S/c1-2-35-28(34)24-22(17-6-4-3-5-7-17)16-37-26(24)30-25(31)20(15-29)14-21-12-13-23(36-21)18-8-10-19(11-9-18)27(32)33/h3-14,16H,2H2,1H3,(H,30,31)(H,32,33)/b20-14+