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

Systemtic Name: 2-[(5E)-5-[1-(4-nitrophenyl)ethylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[(5E)-5-[1-(4-nitrophenyl)ethylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[(5E)-5-[1-(4-nitrophenyl)ethylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[(5E)-5-[1-(4-nitrophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[(5E)-4-keto-5-[1-(4-nitrophenyl)ethylidene]-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C13H12N2O6S3 MolecularWeight: 388.43918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N(C(=S)S1)CCS(=O)(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\1/C(=O)N(C(=S)S1)CCS(=O)(=O)O)/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6S3/c1-8(9-2-4-10(5-3-9)15(17)18)11-12(16)14(13(22)23-11)6-7-24(19,20)21/h2-5H,6-7H2,1H3,(H,19,20,21)/b11-8+