ethyl 2-(3,4-dichlorophenyl)sulfanyl-4-methyl-6-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 2-(3,4-dichlorophenyl)sulfanyl-4-methyl-6-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 2-(3,4-dichlorophenyl)sulfanyl-4-methyl-6-oxo-cyclohexanecarboxylate CAS Name: 2-[(3,4-dichlorophenyl)thio]-4-methyl-6-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dichlorophenyl)sulfanyl-4-methyl-6-oxocyclohexane-1-carboxylate Traditional Name: 2-[(3,4-dichlorophenyl)thio]-6-keto-4-methyl-cyclohexanecarboxylic acid ethyl ester Formula: C16H18Cl2O3S MolecularWeight: 361.28332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Cl2O3S/c1-3-21-16(20)15-13(19)6-9(2)7-14(15)22-10-4-5-11(17)12(18)8-10/h4-5,8-9,14-15H,3,6-7H2,1-2H3