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

Systemtic Name: 4-[(E)-[3-butyl-2-(4-methylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[3-butyl-4-oxo-2-(p-tolylimino)thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[3-butyl-2-(4-methylphenyl)imino-4-oxo-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[3-butyl-4-keto-2-(p-tolylimino)thiazolidin-5-ylidene]methyl]benzoic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)SC1=NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/SC1=NC3=CC=C(C=C3)C

InChI

InChI=1S/C22H22N2O3S/c1-3-4-13-24-20(25)19(14-16-7-9-17(10-8-16)21(26)27)28-22(24)23-18-11-5-15(2)6-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,26,27)/b19-14+,23-22?