S-phenyl (1S)-2,6,6-trimethylcyclohex-2-ene-1-carbothioate

Systemtic Name: S-phenyl (1S)-2,6,6-trimethylcyclohex-2-ene-1-carbothioate Openeye Name: S-phenyl (1S)-2,6,6-trimethylcyclohex-2-ene-1-carbothioate CAS Name: (1S)-2,6,6-trimethyl-1-cyclohex-2-enecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl (1S)-2,6,6-trimethylcyclohex-2-ene-1-carbothioate Traditional Name: (1S)-2,6,6-trimethylcyclohex-2-ene-1-carbothioic acid S-phenyl ester Formula: C16H20OS MolecularWeight: 260.3944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20OS/c1-12-8-7-11-16(2,3)14(12)15(17)18-13-9-5-4-6-10-13/h4-6,8-10,14H,7,11H2,1-3H3/t14-/m0/s1