4-[(Z)-[2-(4-methyl-2-oxidanyl-phenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[2-(4-methyl-2-oxidanyl-phenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[3-allyl-2-(2-hydroxy-4-methyl-phenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[(Z)-[2-(2-hydroxy-4-methylphenyl)imino-4-oxo-3-prop-2-enyl-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[2-(2-hydroxy-4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[3-allyl-2-(2-hydroxy-4-methyl-phenyl)imino-4-keto-thiazolidin-5-ylidene]methyl]benzoic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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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)CC=C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-3-10-23-19(25)18(12-14-5-7-15(8-6-14)20(26)27)28-21(23)22-16-9-4-13(2)11-17(16)24/h3-9,11-12,24H,1,10H2,2H3,(H,26,27)/b18-12-,22-21?