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

Systemtic Name: 4-[5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[5-[(2-hydroxy-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[5-(2-hydroxy-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C14H12N2O6S2 MolecularWeight: 368.38488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S2/c17-10-4-3-9(16(21)22)6-8(10)7-11-13(20)15(14(23)24-11)5-1-2-12(18)19/h3-4,6-7,17H,1-2,5H2,(H,18,19)