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

Systemtic Name: methyl 4-[(5Z)-5-[(4-methoxy-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: methyl 4-[(5Z)-5-[(4-methoxy-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[(4-methoxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[(5Z)-5-[(4-methoxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-4-keto-5-(4-methoxy-3-nitro-benzylidene)-2-thioxo-thiazolidin-3-yl]butyric acid methyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S2/c1-23-12-6-5-10(8-11(12)18(21)22)9-13-15(20)17(16(25)26-13)7-3-4-14(19)24-2/h5-6,8-9H,3-4,7H2,1-2H3/b13-9-