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

Systemtic Name: S-[(3S)-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-2-oxidanylidene-azetidin-1-yl] 2-aminocarbonyloxyethanethioate Openeye Name: S-[(3S)-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-2-oxo-azetidin-1-yl] 2-carbamoyloxyethanethioate CAS Name: 2-carbamoyloxyethanethioic acid S-[(3S)-3-[1-[(4-nitrophenyl)methoxy-oxomethoxy]ethyl]-2-oxo-1-azetidinyl] ester IUPAC Name: S-[(3S)-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-2-oxoazetidin-1-yl] 2-carbamoyloxyethanethioate Traditional Name: 2-carbamoyloxyethanethioic acid S-[(3S)-2-keto-3-[1-(4-nitrobenzyl)oxycarbonyloxyethyl]azetidin-1-yl] ester Formula: C16H17N3O9S MolecularWeight: 427.38588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C1=O)SC(=O)COC(=O)N)OC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC([C@@H]1CN(C1=O)SC(=O)COC(=O)N)OC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O9S/c1-9(12-6-18(14(12)21)29-13(20)8-26-15(17)22)28-16(23)27-7-10-2-4-11(5-3-10)19(24)25/h2-5,9,12H,6-8H2,1H3,(H2,17,22)/t9?,12-/m0/s1