methyl 2,6,6-trimethyl-5-phenylsulfanyl-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 2,6,6-trimethyl-5-phenylsulfanyl-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 2,6,6-trimethyl-5-phenylsulfanyl-cyclohex-2-ene-1-carboxylate CAS Name: 2,6,6-trimethyl-5-(phenylthio)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 2,6,6-trimethyl-5-phenylsulfanylcyclohex-2-ene-1-carboxylate Traditional Name: 2,6,6-trimethyl-5-(phenylthio)cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C17H22O2S MolecularWeight: 290.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1C(=O)OC)(C)C)SC2=CC=CC=C2

Isomeric SMILES

CC1=CCC(C(C1C(=O)OC)(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C17H22O2S/c1-12-10-11-14(20-13-8-6-5-7-9-13)17(2,3)15(12)16(18)19-4/h5-10,14-15H,11H2,1-4H3