3-ethoxy-5,5-dimethyl-2-phenylsulfanyl-cyclohex-2-en-1-one

Systemtic Name: 3-ethoxy-5,5-dimethyl-2-phenylsulfanyl-cyclohex-2-en-1-one Openeye Name: 3-ethoxy-5,5-dimethyl-2-phenylsulfanyl-cyclohex-2-en-1-one CAS Name: 3-ethoxy-5,5-dimethyl-2-(phenylthio)-1-cyclohex-2-enone IUPAC Name: 3-ethoxy-5,5-dimethyl-2-phenylsulfanylcyclohex-2-en-1-one Traditional Name: 3-ethoxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one Formula: C16H20O2S MolecularWeight: 276.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)CC(C1)(C)C)SC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=O)CC(C1)(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C16H20O2S/c1-4-18-14-11-16(2,3)10-13(17)15(14)19-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3