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

Systemtic Name: 4-[2-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[2-[5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[2-[5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[2-[5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[2-[4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]acetyl]amino]benzoic acid Formula: C18H15N3O5S2 MolecularWeight: 417.4588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S2/c1-20-6-2-3-11(20)8-14-16(24)21(18(27)28-14)9-15(23)19-10-4-5-12(17(25)26)13(22)7-10/h2-8,22H,9H2,1H3,(H,19,23)(H,25,26)