4-[(E)-[2-(4-methylphenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[2-(4-methylphenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[4-oxo-3-phenethyl-2-(p-tolylimino)thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[2-(4-methylphenyl)imino-4-oxo-3-phenethyl-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[2-(4-methylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[4-keto-3-phenethyl-2-(p-tolylimino)thiazolidin-5-ylidene]methyl]benzoic acid Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C2N(C(=O)C(=CC3=CC=C(C=C3)C(=O)O)S2)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N=C2N(C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/S2)CCC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O3S/c1-18-7-13-22(14-8-18)27-26-28(16-15-19-5-3-2-4-6-19)24(29)23(32-26)17-20-9-11-21(12-10-20)25(30)31/h2-14,17H,15-16H2,1H3,(H,30,31)/b23-17+,27-26?