ethyl (1S,2R,5R)-2-methoxy-4-methyl-5-phenylsulfanyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,2R,5R)-2-methoxy-4-methyl-5-phenylsulfanyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,2R,5R)-2-methoxy-4-methyl-5-phenylsulfanyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R,5R)-2-methoxy-4-methyl-5-(phenylthio)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,5R)-2-methoxy-4-methyl-5-phenylsulfanylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R,5R)-2-methoxy-4-methyl-5-(phenylthio)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=CC1OC)C)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1C[C@H](C(=C[C@H]1OC)C)SC2=CC=CC=C2

InChI

InChI=1S/C17H22O3S/c1-4-20-17(18)14-11-16(12(2)10-15(14)19-3)21-13-8-6-5-7-9-13/h5-10,14-16H,4,11H2,1-3H3/t14-,15+,16+/m0/s1