4-methyl-2-[(5Z)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid

Systemtic Name: 4-methyl-2-[(5Z)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Openeye Name: 2-[(5Z)-5-[(2-hydroxy-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-pentanoic acid CAS Name: 2-[(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-methylpentanoic acid IUPAC Name: 2-[(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylpentanoic acid Traditional Name: 2-[(5Z)-5-(2-hydroxy-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-4-methyl-valeric acid Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S2/c1-8(2)5-11(15(21)22)17-14(20)13(26-16(17)25)7-9-6-10(18(23)24)3-4-12(9)19/h3-4,6-8,11,19H,5H2,1-2H3,(H,21,22)/b13-7-