S-[(2S,3S)-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxidanylidene-azetidin-2-yl] 2-oxidanyl-3-oxidanylidene-butanethioate

Systemtic Name: S-[(2S,3S)-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxidanylidene-azetidin-2-yl] 2-oxidanyl-3-oxidanylidene-butanethioate Openeye Name: S-[(2S,3S)-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxo-azetidin-2-yl] 2-hydroxy-3-oxo-butanethioate CAS Name: 2-hydroxy-3-oxobutanethioic acid S-[(2S,3S)-3-[1-[(4-nitrophenyl)methoxy-oxomethoxy]ethyl]-4-oxo-2-azetidinyl] ester IUPAC Name: S-[(2S,3S)-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxoazetidin-2-yl] 2-hydroxy-3-oxobutanethioate Traditional Name: 2-hydroxy-3-keto-butanethioic acid S-[(2S,3S)-4-keto-3-[1-(4-nitrobenzyl)oxycarbonyloxyethyl]azetidin-2-yl] ester Formula: C17H18N2O9S MolecularWeight: 426.39782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(NC1=O)SC(=O)C(C(=O)C)O)OC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC([C@@H]1[C@@H](NC1=O)SC(=O)C(C(=O)C)O)OC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O9S/c1-8(20)13(21)16(23)29-15-12(14(22)18-15)9(2)28-17(24)27-7-10-3-5-11(6-4-10)19(25)26/h3-6,9,12-13,15,21H,7H2,1-2H3,(H,18,22)/t9?,12-,13?,15-/m0/s1