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

Systemtic Name: 2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5E)-5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5E)-4-keto-5-(3-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C12H9N2O6S3- MolecularWeight: 373.40466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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