2-[5-[[4-ethoxycarbonyl-5-[(4-methylphenyl)amino]-3-oxidanylidene-thiophen-2-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 2-[5-[[4-ethoxycarbonyl-5-[(4-methylphenyl)amino]-3-oxidanylidene-thiophen-2-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 2-[5-[[4-ethoxycarbonyl-5-(4-methylanilino)-3-oxo-2-thienylidene]methyl]-2-furyl]benzoic acid CAS Name: 2-[5-[[4-ethoxycarbonyl-5-(4-methylanilino)-3-oxo-2-thiophenylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 2-[5-[[4-ethoxycarbonyl-5-(4-methylanilino)-3-oxothiophen-2-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 2-[5-[[4-carbethoxy-3-keto-5-(p-toluidino)-2-thienylidene]methyl]-2-furyl]benzoic acid Formula: C26H21NO6S MolecularWeight: 475.51304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)O)C1=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)O)C1=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C26H21NO6S/c1-3-32-26(31)22-23(28)21(34-24(22)27-16-10-8-15(2)9-11-16)14-17-12-13-20(33-17)18-6-4-5-7-19(18)25(29)30/h4-14,27H,3H2,1-2H3,(H,29,30)