methyl 6-[(5Z)-5-[(4-chloranyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: methyl 6-[(5Z)-5-[(4-chloranyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: methyl 6-[(5Z)-5-[(4-chloro-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5Z)-5-(4-chloro-3-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid methyl ester Formula: C17H17ClN2O5S2 MolecularWeight: 428.91028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCN1C(=O)C(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC1=S

Isomeric SMILES

COC(=O)CCCCCN1C(=O)/C(=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C17H17ClN2O5S2/c1-25-15(21)5-3-2-4-8-19-16(22)14(27-17(19)26)10-11-6-7-12(18)13(9-11)20(23)24/h6-7,9-10H,2-5,8H2,1H3/b14-10-