3-[[4-[2-cyano-4-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)-3-oxidanylidene-but-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[2-cyano-4-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)-3-oxidanylidene-but-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-cyano-4-(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)-3-oxo-but-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-cyano-4-(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)-3-oxobut-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-cyano-4-(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)-3-oxobut-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[4-(5-carbethoxy-3-cyano-4-methyl-2-thienyl)-2-cyano-3-keto-but-1-enyl]phenoxy]methyl]benzoic acid Formula: C28H22N2O6S MolecularWeight: 514.54908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N)C#N)C

InChI

InChI=1S/C28H22N2O6S/c1-3-35-28(34)26-17(2)23(15-30)25(37-26)13-24(31)21(14-29)11-18-7-9-22(10-8-18)36-16-19-5-4-6-20(12-19)27(32)33/h4-12H,3,13,16H2,1-2H3,(H,32,33)