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

Systemtic Name: ethyl 4-[(5Z)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: ethyl 4-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid ethyl ester Formula: C17H18N2O7S2 MolecularWeight: 426.46402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S2/c1-3-26-14(20)5-4-6-18-16(22)13(28-17(18)27)9-10-7-11(19(23)24)15(21)12(8-10)25-2/h7-9,21H,3-6H2,1-2H3/b13-9-