4-[(E)-[4-oxidanylidene-3-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[4-oxidanylidene-3-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[3-(1-benzyl-2-hydroxy-2-oxo-ethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[3-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[3-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[3-(1-benzyl-2-hydroxy-2-keto-ethyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid Formula: C20H15NO5S2 MolecularWeight: 413.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/SC2=S

InChI

InChI=1S/C20H15NO5S2/c22-17-16(11-13-6-8-14(9-7-13)18(23)24)28-20(27)21(17)15(19(25)26)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,23,24)(H,25,26)/b16-11+