(2R)-2-[(5E)-5-[(4-methyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[(5E)-5-[(4-methyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(5E)-5-[(4-methyl-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(5E)-5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(5E)-5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(5E)-4-keto-5-(4-methyl-3-nitro-benzylidene)-2-thioxo-thiazolidin-3-yl]-4-(methylthio)butyrate Formula: C16H15N2O5S3- MolecularWeight: 411.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)[C@H](CCSC)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S3/c1-9-3-4-10(7-12(9)18(22)23)8-13-14(19)17(16(24)26-13)11(15(20)21)5-6-25-2/h3-4,7-8,11H,5-6H2,1-2H3,(H,20,21)/p-1/b13-8+/t11-/m1/s1