[(E,3R,4S,5R)-4-methyl-6-oxidanylidene-5-phenylmethoxy-1-phenylsulfanyl-hex-1-en-3-yl] ethanoate

Systemtic Name: [(E,3R,4S,5R)-4-methyl-6-oxidanylidene-5-phenylmethoxy-1-phenylsulfanyl-hex-1-en-3-yl] ethanoate Openeye Name: [(1R,2S,3R)-3-benzyloxy-2-methyl-4-oxo-1-[(E)-2-phenylsulfanylvinyl]butyl] acetate CAS Name: acetic acid [(E,3R,4S,5R)-4-methyl-6-oxo-5-phenylmethoxy-1-(phenylthio)hex-1-en-3-yl] ester IUPAC Name: [(E,3R,4S,5R)-4-methyl-6-oxo-5-phenylmethoxy-1-phenylsulfanylhex-1-en-3-yl] acetate Traditional Name: acetic acid [(E,1R)-1-[(1S,2R)-2-benzoxy-3-keto-1-methyl-propyl]-3-(phenylthio)allyl] ester Formula: C22H24O4S MolecularWeight: 384.48856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C=CSC1=CC=CC=C1)OC(=O)C)C(C=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@H](/C=C/SC1=CC=CC=C1)OC(=O)C)[C@H](C=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24O4S/c1-17(22(15-23)25-16-19-9-5-3-6-10-19)21(26-18(2)24)13-14-27-20-11-7-4-8-12-20/h3-15,17,21-22H,16H2,1-2H3/b14-13+/t17-,21-,22-/m0/s1