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

Systemtic Name: (3R,4S,5S)-4-oxidanyl-5-phenylsulfanyl-3-[(2R)-pyrrolidin-2-yl]oxepan-2-one Openeye Name: (3R,4S,5S)-4-hydroxy-5-phenylsulfanyl-3-[(2R)-pyrrolidin-2-yl]oxepan-2-one CAS Name: (3R,4S,5S)-4-hydroxy-5-(phenylthio)-3-[(2R)-2-pyrrolidinyl]-2-oxepanone IUPAC Name: (3R,4S,5S)-4-hydroxy-5-phenylsulfanyl-3-[(2R)-pyrrolidin-2-yl]oxepan-2-one Traditional Name: (3R,4S,5S)-4-hydroxy-5-(phenylthio)-3-[(2R)-pyrrolidin-2-yl]oxepan-2-one Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2C(C(CCOC2=O)SC3=CC=CC=C3)O

Isomeric SMILES

C1C[C@@H](NC1)[C@@H]2[C@@H]([C@H](CCOC2=O)SC3=CC=CC=C3)O

InChI

InChI=1S/C16H21NO3S/c18-15-13(21-11-5-2-1-3-6-11)8-10-20-16(19)14(15)12-7-4-9-17-12/h1-3,5-6,12-15,17-18H,4,7-10H2/t12-,13+,14-,15-/m1/s1