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

Systemtic Name: (4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxidanylidene-azetidin-1-yl]-2-(phenylsulfinyl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxo-azetidin-1-yl]-2-(benzenesulfinyl)acetate CAS Name: 2-[(3S)-3-acetamido-2-oxo-1-azetidinyl]-2-(benzenesulfinyl)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxoazetidin-1-yl]-2-(benzenesulfinyl)acetate Traditional Name: 2-[(3S)-3-acetamido-2-keto-azetidin-1-yl]-2-(benzenesulfinyl)acetic acid (4-nitrobenzyl) ester Formula: C20H19N3O7S MolecularWeight: 445.44576

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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)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H]1CN(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O7S/c1-13(24)21-17-11-22(18(17)25)19(31(29)16-5-3-2-4-6-16)20(26)30-12-14-7-9-15(10-8-14)23(27)28/h2-10,17,19H,11-12H2,1H3,(H,21,24)/t17-,19?,31?/m0/s1