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

Systemtic Name: 4-[4-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[4-[5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid CAS Name: 2-hydroxy-4-[[4-[5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[4-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Traditional Name: 2-hydroxy-4-[4-[4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S2/c1-22-8-2-4-13(22)11-16-18(26)23(20(29)30-16)9-3-5-17(25)21-12-6-7-14(19(27)28)15(24)10-12/h2,4,6-8,10-11,24H,3,5,9H2,1H3,(H,21,25)(H,27,28)