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

Systemtic Name: methyl 4-[(5Z)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: methyl 4-[(5Z)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-5-(4-hydroxy-3-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid methyl ester Formula: C15H14N2O6S2 MolecularWeight: 382.41146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])SC1=S

Isomeric SMILES

COC(=O)CCCN1C(=O)/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C15H14N2O6S2/c1-23-13(19)3-2-6-16-14(20)12(25-15(16)24)8-9-4-5-11(18)10(7-9)17(21)22/h4-5,7-8,18H,2-3,6H2,1H3/b12-8-