methyl 7-(1H-imidazol-2-ylsulfanyl)-4,5-dimethyl-2-(4-nitrophenyl)-6-oxidanylidene-heptanoate

Systemtic Name: methyl 7-(1H-imidazol-2-ylsulfanyl)-4,5-dimethyl-2-(4-nitrophenyl)-6-oxidanylidene-heptanoate Openeye Name: methyl 7-(1H-imidazol-2-ylsulfanyl)-4,5-dimethyl-2-(4-nitrophenyl)-6-oxo-heptanoate CAS Name: 7-(1H-imidazol-2-ylthio)-4,5-dimethyl-2-(4-nitrophenyl)-6-oxoheptanoic acid methyl ester IUPAC Name: methyl 7-(1H-imidazol-2-ylsulfanyl)-4,5-dimethyl-2-(4-nitrophenyl)-6-oxoheptanoate Traditional Name: 7-(1H-imidazol-2-ylthio)-6-keto-4,5-dimethyl-2-(4-nitrophenyl)enanthic acid methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC)C(C)C(=O)CSC2=NC=CN2

Isomeric SMILES

CC(CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC)C(C)C(=O)CSC2=NC=CN2

InChI

InChI=1S/C19H23N3O5S/c1-12(13(2)17(23)11-28-19-20-8-9-21-19)10-16(18(24)27-3)14-4-6-15(7-5-14)22(25)26/h4-9,12-13,16H,10-11H2,1-3H3,(H,20,21)