4-[2,5-dimethyl-3-[(E)-[3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2,5-dimethyl-3-[(E)-[3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2,5-dimethyl-3-[(E)-[3-[2-(4-methylanilino)-2-oxo-ethyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2,5-dimethyl-3-[(E)-[3-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2,5-dimethyl-3-[(E)-[3-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[(E)-[2,4-diketo-3-[2-keto-2-(p-toluidino)ethyl]thiazolidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)O)C)SC2=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)O)C)/SC2=O

InChI

InChI=1S/C26H23N3O5S/c1-15-4-8-20(9-5-15)27-23(30)14-28-24(31)22(35-26(28)34)13-19-12-16(2)29(17(19)3)21-10-6-18(7-11-21)25(32)33/h4-13H,14H2,1-3H3,(H,27,30)(H,32,33)/b22-13+