(3S,4R,5R)-3-bromanyl-5-methoxy-4-(phenylmethylsulfanyl)pyrrolidin-2-one

Systemtic Name: (3S,4R,5R)-3-bromanyl-5-methoxy-4-(phenylmethylsulfanyl)pyrrolidin-2-one Openeye Name: (3S,4R,5R)-4-benzylsulfanyl-3-bromo-5-methoxy-pyrrolidin-2-one CAS Name: (3S,4R,5R)-3-bromo-5-methoxy-4-(phenylmethylthio)-2-pyrrolidinone IUPAC Name: (3S,4R,5R)-4-benzylsulfanyl-3-bromo-5-methoxypyrrolidin-2-one Traditional Name: (3S,4R,5R)-4-(benzylthio)-3-bromo-5-methoxy-2-pyrrolidone Formula: C12H14BrNO2S MolecularWeight: 316.21406

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(=O)N1)Br)SCC2=CC=CC=C2

Isomeric SMILES

CO[C@@H]1[C@H]([C@H](C(=O)N1)Br)SCC2=CC=CC=C2

InChI

InChI=1S/C12H14BrNO2S/c1-16-12-10(9(13)11(15)14-12)17-7-8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3,(H,14,15)/t9-,10+,12-/m1/s1