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

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

CC(C(=O)NC1=CC(=C(C=C1)C(=O)O)O)N2C(=O)C(=CC3=CC=CN3C)SC2=S

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C(=O)O)O)N2C(=O)C(=CC3=CC=CN3C)SC2=S

InChI

InChI=1S/C19H17N3O5S2/c1-10(16(24)20-11-5-6-13(18(26)27)14(23)8-11)22-17(25)15(29-19(22)28)9-12-4-3-7-21(12)2/h3-10,23H,1-2H3,(H,20,24)(H,26,27)