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

Systemtic Name: 2-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitro-phenolate Openeye Name: 2-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]-4-nitro-phenolate CAS Name: 2-[[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-4-nitrophenolate IUPAC Name: 2-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitrophenolate Traditional Name: 2-[4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]butanoylamino]-4-nitro-phenolate Formula: C21H16N3O7S2- MolecularWeight: 486.49764

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H17N3O7S2/c25-15-5-4-13(24(28)29)10-14(15)22-19(26)2-1-7-23-20(27)18(33-21(23)32)9-12-3-6-16-17(8-12)31-11-30-16/h3-6,8-10,25H,1-2,7,11H2,(H,22,26)/p-1/b18-9-