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

Systemtic Name: 4-[3-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[3-[5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid CAS Name: 2-hydroxy-4-[[3-[5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[3-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Traditional Name: 2-hydroxy-4-[3-[4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

CN1C=CC=C1C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C19H17N3O5S2/c1-21-7-2-3-12(21)10-15-17(25)22(19(28)29-15)8-6-16(24)20-11-4-5-13(18(26)27)14(23)9-11/h2-5,7,9-10,23H,6,8H2,1H3,(H,20,24)(H,26,27)