ethyl 4-methyl-2-(4-nitrophenyl)sulfanyl-6-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-methyl-2-(4-nitrophenyl)sulfanyl-6-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 4-methyl-2-(4-nitrophenyl)sulfanyl-6-oxo-cyclohexanecarboxylate CAS Name: 4-methyl-2-[(4-nitrophenyl)thio]-6-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(4-nitrophenyl)sulfanyl-6-oxocyclohexane-1-carboxylate Traditional Name: 2-keto-4-methyl-6-[(4-nitrophenyl)thio]cyclohexanecarboxylic acid ethyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(CC1=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(CC(CC1=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO5S/c1-3-22-16(19)15-13(18)8-10(2)9-14(15)23-12-6-4-11(5-7-12)17(20)21/h4-7,10,14-15H,3,8-9H2,1-2H3