5-oxidanyl-2-[4-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid

Systemtic Name: 5-oxidanyl-2-[4-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Openeye Name: 2-[4-[(5E)-5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]-5-hydroxy-benzoic acid CAS Name: 5-hydroxy-2-[[1-oxo-4-[(5E)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]butyl]amino]benzoic acid IUPAC Name: 2-[4-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-5-hydroxybenzoic acid Traditional Name: 2-[4-[(5E)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]butanoylamino]-5-hydroxy-benzoic acid Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C=C(C=C3)O)C(=O)O

InChI

InChI=1S/C21H18N2O5S2/c24-14-8-9-16(15(12-14)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11+