[(1R,3R,4S)-3-phenylsulfanyl-4-propan-2-yl-cyclohexyl] ethanoate

Systemtic Name: [(1R,3R,4S)-3-phenylsulfanyl-4-propan-2-yl-cyclohexyl] ethanoate Openeye Name: [(1R,3R,4S)-4-isopropyl-3-phenylsulfanyl-cyclohexyl] acetate CAS Name: acetic acid [(1R,3R,4S)-3-(phenylthio)-4-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,3R,4S)-3-phenylsulfanyl-4-propan-2-ylcyclohexyl] acetate Traditional Name: acetic acid [(1R,3R,4S)-4-isopropyl-3-(phenylthio)cyclohexyl] ester Formula: C17H24O2S MolecularWeight: 292.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1SC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24O2S/c1-12(2)16-10-9-14(19-13(3)18)11-17(16)20-15-7-5-4-6-8-15/h4-8,12,14,16-17H,9-11H2,1-3H3/t14-,16+,17-/m1/s1