[(2S,3R)-6-methoxy-4-(4-methylphenyl)sulfanyl-2-phenethyl-3,6-dihydro-2H-pyran-3-yl] ethanoate

Systemtic Name: [(2S,3R)-6-methoxy-4-(4-methylphenyl)sulfanyl-2-phenethyl-3,6-dihydro-2H-pyran-3-yl] ethanoate Openeye Name: [(2S,3R)-6-methoxy-2-phenethyl-4-(p-tolylsulfanyl)-3,6-dihydro-2H-pyran-3-yl] acetate CAS Name: acetic acid [(2S,3R)-6-methoxy-4-[(4-methylphenyl)thio]-2-phenethyl-3,6-dihydro-2H-pyran-3-yl] ester IUPAC Name: [(2S,3R)-6-methoxy-4-(4-methylphenyl)sulfanyl-2-phenethyl-3,6-dihydro-2H-pyran-3-yl] acetate Traditional Name: acetic acid [(2S,3R)-6-methoxy-2-phenethyl-4-(p-tolylthio)-3,6-dihydro-2H-pyran-3-yl] ester Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(OC(C2OC(=O)C)CCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(O[C@H]([C@H]2OC(=O)C)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H26O4S/c1-16-9-12-19(13-10-16)28-21-15-22(25-3)27-20(23(21)26-17(2)24)14-11-18-7-5-4-6-8-18/h4-10,12-13,15,20,22-23H,11,14H2,1-3H3/t20-,22?,23+/m0/s1