(4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxidanylidene-azetidin-1-yl]-2-methylsulfonyl-ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxidanylidene-azetidin-1-yl]-2-methylsulfonyl-ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxo-azetidin-1-yl]-2-methylsulfonyl-acetate CAS Name: 2-[(3S)-3-acetamido-2-oxo-1-azetidinyl]-2-methylsulfonylacetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxoazetidin-1-yl]-2-methylsulfonylacetate Traditional Name: 2-[(3S)-3-acetamido-2-keto-azetidin-1-yl]-2-mesyl-acetic acid (4-nitrobenzyl) ester Formula: C15H17N3O8S MolecularWeight: 399.37578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CN(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O8S/c1-9(19)16-12-7-17(13(12)20)14(27(2,24)25)15(21)26-8-10-3-5-11(6-4-10)18(22)23/h3-6,12,14H,7-8H2,1-2H3,(H,16,19)/t12-,14?/m0/s1