[(2S)-2-oxidanyl-2-[(7R)-5-oxidanylidene-1,4-thiazepan-7-yl]ethyl] ethanoate

Systemtic Name: [(2S)-2-oxidanyl-2-[(7R)-5-oxidanylidene-1,4-thiazepan-7-yl]ethyl] ethanoate Openeye Name: [(2S)-2-hydroxy-2-[(7R)-5-oxo-1,4-thiazepan-7-yl]ethyl] acetate CAS Name: acetic acid [(2S)-2-hydroxy-2-[(7R)-5-oxo-1,4-thiazepan-7-yl]ethyl] ester IUPAC Name: [(2S)-2-hydroxy-2-[(7R)-5-oxo-1,4-thiazepan-7-yl]ethyl] acetate Traditional Name: acetic acid [(2S)-2-hydroxy-2-[(7R)-5-keto-1,4-thiazepan-7-yl]ethyl] ester Formula: C9H15NO4S MolecularWeight: 233.2847

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1CC(=O)NCCS1)O

Isomeric SMILES

CC(=O)OC[C@@H]([C@H]1CC(=O)NCCS1)O

InChI

InChI=1S/C9H15NO4S/c1-6(11)14-5-7(12)8-4-9(13)10-2-3-15-8/h7-8,12H,2-5H2,1H3,(H,10,13)/t7-,8+/m0/s1