S-[(4S,5S,6R)-6-[(2R)-1-ethanoylsulfanylpyrrolidin-2-yl]-5-oxidanyl-7-oxidanylidene-oxepan-4-yl] ethanethioate

Systemtic Name: S-[(4S,5S,6R)-6-[(2R)-1-ethanoylsulfanylpyrrolidin-2-yl]-5-oxidanyl-7-oxidanylidene-oxepan-4-yl] ethanethioate Openeye Name: S-[(4S,5S,6R)-6-[(2R)-1-acetylsulfanylpyrrolidin-2-yl]-5-hydroxy-7-oxo-oxepan-4-yl] ethanethioate CAS Name: ethanethioic acid S-[(4S,5S,6R)-6-[(2R)-1-(acetylthio)-2-pyrrolidinyl]-5-hydroxy-7-oxo-4-oxepanyl] ester IUPAC Name: S-[(4S,5S,6R)-6-[(2R)-1-acetylsulfanylpyrrolidin-2-yl]-5-hydroxy-7-oxooxepan-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(4S,5S,6R)-6-[(2R)-1-(acetylthio)pyrrolidin-2-yl]-5-hydroxy-7-keto-oxepan-4-yl] ester Formula: C14H21NO5S2 MolecularWeight: 347.45024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCOC(=O)C(C1O)C2CCCN2SC(=O)C

Isomeric SMILES

CC(=O)S[C@H]1CCOC(=O)[C@@H]([C@@H]1O)[C@H]2CCCN2SC(=O)C

InChI

InChI=1S/C14H21NO5S2/c1-8(16)21-11-5-7-20-14(19)12(13(11)18)10-4-3-6-15(10)22-9(2)17/h10-13,18H,3-7H2,1-2H3/t10-,11+,12-,13-/m1/s1