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

Systemtic Name: ethyl 2-(4-chlorophenyl)sulfanyl-4-methyl-6-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)sulfanyl-4-methyl-6-oxo-cyclohexanecarboxylate CAS Name: 2-[(4-chlorophenyl)thio]-4-methyl-6-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)sulfanyl-4-methyl-6-oxocyclohexane-1-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]-6-keto-4-methyl-cyclohexanecarboxylic acid ethyl ester Formula: C16H19ClO3S MolecularWeight: 326.83826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(CC1=O)C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1C(CC(CC1=O)C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H19ClO3S/c1-3-20-16(19)15-13(18)8-10(2)9-14(15)21-12-6-4-11(17)5-7-12/h4-7,10,14-15H,3,8-9H2,1-2H3