ethyl (1S,2S)-3,4-dimethyl-2-methylsulfanyl-1-phenyl-cyclopent-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,2S)-3,4-dimethyl-2-methylsulfanyl-1-phenyl-cyclopent-3-ene-1-carboxylate Openeye Name: ethyl (1S,2S)-3,4-dimethyl-2-methylsulfanyl-1-phenyl-cyclopent-3-ene-1-carboxylate CAS Name: (1S,2S)-3,4-dimethyl-2-(methylthio)-1-phenyl-1-cyclopent-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-3,4-dimethyl-2-methylsulfanyl-1-phenylcyclopent-3-ene-1-carboxylate Traditional Name: (1S,2S)-3,4-dimethyl-2-(methylthio)-1-phenyl-cyclopent-3-ene-1-carboxylic acid ethyl ester Formula: C17H22O2S MolecularWeight: 290.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=C(C1SC)C)C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H22O2S/c1-5-19-16(18)17(14-9-7-6-8-10-14)11-12(2)13(3)15(17)20-4/h6-10,15H,5,11H2,1-4H3/t15-,17+/m0/s1