methyl 3-(4-chlorophenyl)sulfanyl-2,4-bis(oxidanylidene)-6-phenyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 3-(4-chlorophenyl)sulfanyl-2,4-bis(oxidanylidene)-6-phenyl-cyclohexane-1-carboxylate Openeye Name: methyl 3-(4-chlorophenyl)sulfanyl-2,4-dioxo-6-phenyl-cyclohexanecarboxylate CAS Name: 3-[(4-chlorophenyl)thio]-2,4-dioxo-6-phenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)sulfanyl-2,4-dioxo-6-phenylcyclohexane-1-carboxylate Traditional Name: 3-[(4-chlorophenyl)thio]-2,4-diketo-6-phenyl-cyclohexanecarboxylic acid methyl ester Formula: C20H17ClO4S MolecularWeight: 388.86458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CC(=O)C(C1=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C(CC(=O)C(C1=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClO4S/c1-25-20(24)17-15(12-5-3-2-4-6-12)11-16(22)19(18(17)23)26-14-9-7-13(21)8-10-14/h2-10,15,17,19H,11H2,1H3