[(1S)-2-bromanyl-3-phenylsulfanyl-cyclohex-2-en-1-yl] (2S)-2-acetyloxy-2-phenyl-ethanoate

Systemtic Name: [(1S)-2-bromanyl-3-phenylsulfanyl-cyclohex-2-en-1-yl] (2S)-2-acetyloxy-2-phenyl-ethanoate Openeye Name: [(1S)-2-bromo-3-phenylsulfanyl-cyclohex-2-en-1-yl] (2S)-2-acetoxy-2-phenyl-acetate CAS Name: (2S)-2-acetyloxy-2-phenylacetic acid [(1S)-2-bromo-3-(phenylthio)-1-cyclohex-2-enyl] ester IUPAC Name: [(1S)-2-bromo-3-phenylsulfanylcyclohex-2-en-1-yl] (2S)-2-acetyloxy-2-phenylacetate Traditional Name: (2S)-2-acetoxy-2-phenyl-acetic acid [(1S)-2-bromo-3-(phenylthio)cyclohex-2-en-1-yl] ester Formula: C22H21BrO4S MolecularWeight: 461.36874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)OC2CCCC(=C2Br)SC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)O[C@H]2CCCC(=C2Br)SC3=CC=CC=C3

InChI

InChI=1S/C22H21BrO4S/c1-15(24)26-21(16-9-4-2-5-10-16)22(25)27-18-13-8-14-19(20(18)23)28-17-11-6-3-7-12-17/h2-7,9-12,18,21H,8,13-14H2,1H3/t18-,21-/m0/s1