S-phenyl 2-methyl-5-prop-1-en-2-yl-cyclohex-2-ene-1-carbothioate

Systemtic Name: S-phenyl 2-methyl-5-prop-1-en-2-yl-cyclohex-2-ene-1-carbothioate Openeye Name: S-phenyl 5-isopropenyl-2-methyl-cyclohex-2-ene-1-carbothioate CAS Name: 2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbothioate Traditional Name: 5-isopropenyl-2-methyl-cyclohex-2-ene-1-carbothioic acid S-phenyl ester Formula: C17H20OS MolecularWeight: 272.4051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1C(=O)SC2=CC=CC=C2)C(=C)C

Isomeric SMILES

CC1=CCC(CC1C(=O)SC2=CC=CC=C2)C(=C)C

InChI

InChI=1S/C17H20OS/c1-12(2)14-10-9-13(3)16(11-14)17(18)19-15-7-5-4-6-8-15/h4-9,14,16H,1,10-11H2,2-3H3