[(2S)-1-[(1R)-2-oxidanylidene-1-phenylsulfanyl-cyclohexyl]but-3-en-2-yl] ethanoate

Systemtic Name: [(2S)-1-[(1R)-2-oxidanylidene-1-phenylsulfanyl-cyclohexyl]but-3-en-2-yl] ethanoate Openeye Name: [(1S)-1-[[(1R)-2-oxo-1-phenylsulfanyl-cyclohexyl]methyl]allyl] acetate CAS Name: acetic acid [(2S)-1-[(1R)-2-oxo-1-(phenylthio)cyclohexyl]but-3-en-2-yl] ester IUPAC Name: [(2S)-1-[(1R)-2-oxo-1-phenylsulfanylcyclohexyl]but-3-en-2-yl] acetate Traditional Name: acetic acid [(1S)-1-[[(1R)-2-keto-1-(phenylthio)cyclohexyl]methyl]allyl] ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1(CCCCC1=O)SC2=CC=CC=C2)C=C

Isomeric SMILES

CC(=O)O[C@@H](C[C@@]1(CCCCC1=O)SC2=CC=CC=C2)C=C

InChI

InChI=1S/C18H22O3S/c1-3-15(21-14(2)19)13-18(12-8-7-11-17(18)20)22-16-9-5-4-6-10-16/h3-6,9-10,15H,1,7-8,11-13H2,2H3/t15-,18-/m1/s1