2-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid

Systemtic Name: 2-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[(5E)-5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[(5E)-5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[(5E)-4-keto-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C11H12N2O4S3 MolecularWeight: 332.41898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCS(=O)(=O)O

InChI

InChI=1S/C11H12N2O4S3/c1-12-4-2-3-8(12)7-9-10(14)13(11(18)19-9)5-6-20(15,16)17/h2-4,7H,5-6H2,1H3,(H,15,16,17)/b9-7+