S-(4-chlorophenyl) (1S)-2,6,6-trimethylcyclohex-2-ene-1-carbothioate

Systemtic Name: S-(4-chlorophenyl) (1S)-2,6,6-trimethylcyclohex-2-ene-1-carbothioate Openeye Name: S-(4-chlorophenyl) (1S)-2,6,6-trimethylcyclohex-2-ene-1-carbothioate CAS Name: (1S)-2,6,6-trimethyl-1-cyclohex-2-enecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) (1S)-2,6,6-trimethylcyclohex-2-ene-1-carbothioate Traditional Name: (1S)-2,6,6-trimethylcyclohex-2-ene-1-carbothioic acid S-(4-chlorophenyl) ester Formula: C16H19ClOS MolecularWeight: 294.83946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CCCC([C@@H]1C(=O)SC2=CC=C(C=C2)Cl)(C)C

InChI

InChI=1S/C16H19ClOS/c1-11-5-4-10-16(2,3)14(11)15(18)19-13-8-6-12(17)7-9-13/h5-9,14H,4,10H2,1-3H3/t14-/m0/s1