methyl (1R,6S)-6-(phenylmethylsulfanyl)carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R,6S)-6-(phenylmethylsulfanyl)carbonylcyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,6S)-6-benzylsulfanylcarbonylcyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[oxo-(phenylmethylthio)methyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,6S)-6-benzylsulfanylcarbonylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-(benzylthio)carbonylcyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCC1C(=O)SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C16H18O3S/c1-19-15(17)13-9-5-6-10-14(13)16(18)20-11-12-7-3-2-4-8-12/h2-8,13-14H,9-11H2,1H3/t13-,14+/m1/s1