2-[4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitro-phenolate Openeye Name: 4-nitro-2-[4-[(5E)-4-oxo-5-(p-tolylmethylene)-2-thioxo-thiazolidin-3-yl]butanoylamino]phenolate CAS Name: 2-[[4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-4-nitrophenolate IUPAC Name: 2-[4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitrophenolate Traditional Name: 2-[4-[(5E)-4-keto-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-3-yl]butanoylamino]-4-nitro-phenolate Formula: C21H18N3O5S2- MolecularWeight: 456.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H19N3O5S2/c1-13-4-6-14(7-5-13)11-18-20(27)23(21(30)31-18)10-2-3-19(26)22-16-12-15(24(28)29)8-9-17(16)25/h4-9,11-12,25H,2-3,10H2,1H3,(H,22,26)/p-1/b18-11+