(2R)-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenyl-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenyl-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoate CAS Name: (2R)-2-[(4-methyl-2-pyrimidinyl)oxy]-3,3-diphenyl-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoate Traditional Name: (2R)-3-(benzylthio)-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenyl-propionate Formula: C27H23N2O3S- MolecularWeight: 455.54812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)OC(C(=O)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC=C1)O[C@H](C(=O)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3S/c1-20-17-18-28-26(29-20)32-24(25(30)31)27(22-13-7-3-8-14-22,23-15-9-4-10-16-23)33-19-21-11-5-2-6-12-21/h2-18,24H,19H2,1H3,(H,30,31)/p-1/t24-/m1/s1