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

Systemtic Name: [(E,3R,4S,5R)-4-methyl-6-oxidanylidene-5-phenylmethoxy-1-phenylsulfanyl-hept-1-en-3-yl] ethanoate Openeye Name: [(1R,2S,3R)-3-benzyloxy-2-methyl-4-oxo-1-[(E)-2-phenylsulfanylvinyl]pentyl] acetate CAS Name: acetic acid [(E,3R,4S,5R)-4-methyl-6-oxo-5-phenylmethoxy-1-(phenylthio)hept-1-en-3-yl] ester IUPAC Name: [(E,3R,4S,5R)-4-methyl-6-oxo-5-phenylmethoxy-1-phenylsulfanylhept-1-en-3-yl] acetate Traditional Name: acetic acid [(E,1R)-1-[(1S,2R)-2-benzoxy-3-keto-1-methyl-butyl]-3-(phenylthio)allyl] ester Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O4S/c1-17(23(18(2)24)26-16-20-10-6-4-7-11-20)22(27-19(3)25)14-15-28-21-12-8-5-9-13-21/h4-15,17,22-23H,16H2,1-3H3/b15-14+/t17-,22-,23+/m0/s1