3-[[5-[(4-ethoxycarbonylphenyl)amino]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-[(4-ethoxycarbonylphenyl)amino]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]methyl]benzoic acid Openeye Name: 3-[[5-(4-ethoxycarbonylanilino)-2,4-dioxo-thiazolidin-3-yl]methyl]benzoic acid CAS Name: 3-[[5-(4-ethoxycarbonylanilino)-2,4-dioxo-3-thiazolidinyl]methyl]benzoic acid IUPAC Name: 3-[[5-(4-ethoxycarbonylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid Traditional Name: 3-[[5-(4-carbethoxyanilino)-2,4-diketo-thiazolidin-3-yl]methyl]benzoic acid Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H18N2O6S/c1-2-28-19(26)13-6-8-15(9-7-13)21-16-17(23)22(20(27)29-16)11-12-4-3-5-14(10-12)18(24)25/h3-10,16,21H,2,11H2,1H3,(H,24,25)