2-[3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitro-phenolate Openeye Name: 2-[3-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]-4-nitro-phenolate CAS Name: 2-[[3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]-4-nitrophenolate IUPAC Name: 2-[3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate Traditional Name: 2-[3-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]propanoylamino]-4-nitro-phenolate Formula: C20H14N3O7S2- MolecularWeight: 472.47106

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H15N3O7S2/c24-14-3-2-12(23(27)28)9-13(14)21-18(25)5-6-22-19(26)17(32-20(22)31)8-11-1-4-15-16(7-11)30-10-29-15/h1-4,7-9,24H,5-6,10H2,(H,21,25)/p-1/b17-8+