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

Systemtic Name: 2-[4-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitro-phenolate Openeye Name: 2-[4-[(5E)-5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]-4-nitro-phenolate CAS Name: 2-[[4-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-4-nitrophenolate IUPAC Name: 2-[4-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitrophenolate Traditional Name: 2-[4-[(5E)-5-(4-ethylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butanoylamino]-4-nitro-phenolate Formula: C22H20N3O5S2- MolecularWeight: 470.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=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/C22H21N3O5S2/c1-2-14-5-7-15(8-6-14)12-19-21(28)24(22(31)32-19)11-3-4-20(27)23-17-13-16(25(29)30)9-10-18(17)26/h5-10,12-13,26H,2-4,11H2,1H3,(H,23,27)/p-1/b19-12+