methyl (1S,6S)-3-methyl-6-phenylsulfanylcarbonyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6S)-3-methyl-6-phenylsulfanylcarbonyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6S)-3-methyl-6-phenylsulfanylcarbonyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-3-methyl-6-[oxo-(phenylthio)methyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6S)-3-methyl-6-phenylsulfanylcarbonylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-3-methyl-6-(phenylthio)carbonyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C(=O)OC)C(=O)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC[C@@H]([C@H](C1)C(=O)OC)C(=O)SC2=CC=CC=C2

InChI

InChI=1S/C16H18O3S/c1-11-8-9-13(14(10-11)15(17)19-2)16(18)20-12-6-4-3-5-7-12/h3-8,13-14H,9-10H2,1-2H3/t13-,14-/m0/s1