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

Systemtic Name: 2-[3-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitro-phenolate Openeye Name: 2-[3-[(5Z)-5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]-4-nitro-phenolate CAS Name: 2-[[3-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]-4-nitrophenolate IUPAC Name: 2-[3-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate Traditional Name: 2-[3-[(5Z)-5-(4-ethylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propanoylamino]-4-nitro-phenolate Formula: C21H18N3O5S2- MolecularWeight: 456.51472

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H19N3O5S2/c1-2-13-3-5-14(6-4-13)11-18-20(27)23(21(30)31-18)10-9-19(26)22-16-12-15(24(28)29)7-8-17(16)25/h3-8,11-12,25H,2,9-10H2,1H3,(H,22,26)/p-1/b18-11-