S-[(4S,5S,6R)-5-oxidanyl-7-oxidanylidene-6-[(2R)-piperidin-2-yl]oxepan-4-yl] ethanethioate

Systemtic Name: S-[(4S,5S,6R)-5-oxidanyl-7-oxidanylidene-6-[(2R)-piperidin-2-yl]oxepan-4-yl] ethanethioate Openeye Name: S-[(4S,5S,6R)-5-hydroxy-7-oxo-6-[(2R)-2-piperidyl]oxepan-4-yl] ethanethioate CAS Name: ethanethioic acid S-[(4S,5S,6R)-5-hydroxy-7-oxo-6-[(2R)-2-piperidinyl]-4-oxepanyl] ester IUPAC Name: S-[(4S,5S,6R)-5-hydroxy-7-oxo-6-[(2R)-piperidin-2-yl]oxepan-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(4S,5S,6R)-5-hydroxy-7-keto-6-[(2R)-2-piperidyl]oxepan-4-yl] ester Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCOC(=O)C(C1O)C2CCCCN2

Isomeric SMILES

CC(=O)S[C@H]1CCOC(=O)[C@@H]([C@@H]1O)[C@H]2CCCCN2

InChI

InChI=1S/C13H21NO4S/c1-8(15)19-10-5-7-18-13(17)11(12(10)16)9-4-2-3-6-14-9/h9-12,14,16H,2-7H2,1H3/t9-,10+,11-,12-/m1/s1