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

Systemtic Name: 2-[(5E)-5-[(2-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[(5E)-5-[(2-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[(5E)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[(5E)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[(5E)-4-keto-5-(2-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C12H10N2O6S3 MolecularWeight: 374.4126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C(=O)N(C(=S)S2)CCS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CCS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O6S3/c15-11-10(7-8-3-1-2-4-9(8)14(16)17)22-12(21)13(11)5-6-23(18,19)20/h1-4,7H,5-6H2,(H,18,19,20)/b10-7+