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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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