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

Systemtic Name: ethyl (1S,2R,5S)-5-methoxy-3-methyl-2-phenylsulfanyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,2R,5S)-5-methoxy-3-methyl-2-phenylsulfanyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R,5S)-5-methoxy-3-methyl-2-(phenylthio)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,5S)-5-methoxy-3-methyl-2-phenylsulfanylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R,5S)-5-methoxy-3-methyl-2-(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=C(C1SC2=CC=CC=C2)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3S/c1-4-20-17(18)15-11-13(19-3)10-12(2)16(15)21-14-8-6-5-7-9-14/h5-10,13,15-16H,4,11H2,1-3H3/t13-,15-,16+/m1/s1