(2R)-4-methyl-2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate

Systemtic Name: (2R)-4-methyl-2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate Openeye Name: (2R)-4-methyl-2-[(5Z)-5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoate CAS Name: (2R)-4-methyl-2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanoate IUPAC Name: (2R)-4-methyl-2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate Traditional Name: (2R)-2-[(5Z)-4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]-4-methyl-valerate Formula: C16H15N2O5S2- MolecularWeight: 379.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])N1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])SC1=S

Isomeric SMILES

CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C16H16N2O5S2/c1-9(2)7-12(15(20)21)17-14(19)13(25-16(17)24)8-10-3-5-11(6-4-10)18(22)23/h3-6,8-9,12H,7H2,1-2H3,(H,20,21)/p-1/b13-8-/t12-/m1/s1