methyl (1S,2S,3S)-2-ethenyl-2-methyl-6-oxidanylidene-1-phenylsulfanyl-3-prop-1-en-2-yl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S,3S)-2-ethenyl-2-methyl-6-oxidanylidene-1-phenylsulfanyl-3-prop-1-en-2-yl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S,3S)-3-isopropenyl-2-methyl-6-oxo-1-phenylsulfanyl-2-vinyl-cyclohexanecarboxylate CAS Name: (1S,2S,3S)-2-ethenyl-2-methyl-3-(1-methylethenyl)-6-oxo-1-(phenylthio)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3S)-2-ethenyl-2-methyl-6-oxo-1-phenylsulfanyl-3-prop-1-en-2-ylcyclohexane-1-carboxylate Traditional Name: (1S,2S,3S)-3-isopropenyl-6-keto-2-methyl-1-(phenylthio)-2-vinyl-cyclohexanecarboxylic acid methyl ester Formula: C20H24O3S MolecularWeight: 344.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=O)C(C1(C)C=C)(C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H24O3S/c1-6-19(4)16(14(2)3)12-13-17(21)20(19,18(22)23-5)24-15-10-8-7-9-11-15/h6-11,16H,1-2,12-13H2,3-5H3/t16-,19-,20-/m0/s1