S-phenyl 2-methyl-5-(2-oxidanylpropan-2-yl)cyclohex-2-ene-1-carbothioate

Systemtic Name: S-phenyl 2-methyl-5-(2-oxidanylpropan-2-yl)cyclohex-2-ene-1-carbothioate Openeye Name: S-phenyl 5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-ene-1-carbothioate CAS Name: 5-(2-hydroxypropan-2-yl)-2-methyl-1-cyclohex-2-enecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-ene-1-carbothioate Traditional Name: 5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-ene-1-carbothioic acid S-phenyl ester Formula: C17H22O2S MolecularWeight: 290.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O2S/c1-12-9-10-13(17(2,3)19)11-15(12)16(18)20-14-7-5-4-6-8-14/h4-9,13,15,19H,10-11H2,1-3H3