(3R,4S,5S)-4-oxidanyl-3-[(2R)-1-(phenylmethyl)pyrrolidin-2-yl]-5-phenylsulfanyl-oxepan-2-one

Systemtic Name: (3R,4S,5S)-4-oxidanyl-3-[(2R)-1-(phenylmethyl)pyrrolidin-2-yl]-5-phenylsulfanyl-oxepan-2-one Openeye Name: (3R,4S,5S)-3-[(2R)-1-benzylpyrrolidin-2-yl]-4-hydroxy-5-phenylsulfanyl-oxepan-2-one CAS Name: (3R,4S,5S)-4-hydroxy-3-[(2R)-1-(phenylmethyl)-2-pyrrolidinyl]-5-(phenylthio)-2-oxepanone IUPAC Name: (3R,4S,5S)-3-[(2R)-1-benzylpyrrolidin-2-yl]-4-hydroxy-5-phenylsulfanyloxepan-2-one Traditional Name: (3R,4S,5S)-3-[(2R)-1-benzylpyrrolidin-2-yl]-4-hydroxy-5-(phenylthio)oxepan-2-one Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=CC=C2)C3C(C(CCOC3=O)SC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@@H](N(C1)CC2=CC=CC=C2)[C@@H]3[C@@H]([C@H](CCOC3=O)SC4=CC=CC=C4)O

InChI

InChI=1S/C23H27NO3S/c25-22-20(28-18-10-5-2-6-11-18)13-15-27-23(26)21(22)19-12-7-14-24(19)16-17-8-3-1-4-9-17/h1-6,8-11,19-22,25H,7,12-16H2/t19-,20+,21-,22-/m1/s1