tert-butyl (2S,3R)-3-ethyl-1-(4-nitrophenyl)sulfonyl-4-oxidanylidene-azetidine-2-carboxylate

Systemtic Name: tert-butyl (2S,3R)-3-ethyl-1-(4-nitrophenyl)sulfonyl-4-oxidanylidene-azetidine-2-carboxylate Openeye Name: tert-butyl (2S,3R)-3-ethyl-1-(4-nitrophenyl)sulfonyl-4-oxo-azetidine-2-carboxylate CAS Name: (2S,3R)-3-ethyl-1-(4-nitrophenyl)sulfonyl-4-oxo-2-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-ethyl-1-(4-nitrophenyl)sulfonyl-4-oxoazetidine-2-carboxylate Traditional Name: (2S,3R)-3-ethyl-4-keto-1-nosyl-azetidine-2-carboxylic acid tert-butyl ester Formula: C16H20N2O7S MolecularWeight: 384.4042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7S/c1-5-12-13(15(20)25-16(2,3)4)17(14(12)19)26(23,24)11-8-6-10(7-9-11)18(21)22/h6-9,12-13H,5H2,1-4H3/t12-,13+/m1/s1