4-[3-[5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-[5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[3-[4-oxo-5-(p-tolylmethylene)-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid CAS Name: 2-hydroxy-4-[[3-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[3-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Traditional Name: 2-hydroxy-4-[3-[4-keto-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C21H18N2O5S2/c1-12-2-4-13(5-3-12)10-17-19(26)23(21(29)30-17)9-8-18(25)22-14-6-7-15(20(27)28)16(24)11-14/h2-7,10-11,24H,8-9H2,1H3,(H,22,25)(H,27,28)