methyl 6-[5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: methyl 6-[5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: methyl 6-[5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[4-keto-5-(3-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]hexanoic acid methyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S2/c1-24-15(20)8-3-2-4-9-18-16(21)14(26-17(18)25)11-12-6-5-7-13(10-12)19(22)23/h5-7,10-11H,2-4,8-9H2,1H3