4-[[2-(2,5-dimethylphenyl)imino-3-ethyl-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[2-(2,5-dimethylphenyl)imino-3-ethyl-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[[2-(2,5-dimethylphenyl)imino-3-ethyl-4-oxo-thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[[2-(2,5-dimethylphenyl)imino-3-ethyl-4-oxo-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[[2-(2,5-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[[2-(2,5-dimethylphenyl)imino-3-ethyl-4-keto-thiazolidin-5-ylidene]methyl]benzoic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)SC1=NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)SC1=NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H20N2O3S/c1-4-23-19(24)18(12-15-7-9-16(10-8-15)20(25)26)27-21(23)22-17-11-13(2)5-6-14(17)3/h5-12H,4H2,1-3H3,(H,25,26)