ethyl (3S,4S,5S)-3-azido-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3S,4S,5S)-3-azido-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3S,4S,5S)-3-azido-5-(tert-butoxycarbonylamino)-4-methylsulfonyloxy-cyclohexene-1-carboxylate CAS Name: (3S,4S,5S)-3-azido-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-methylsulfonyloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S,5S)-3-azido-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxycyclohexene-1-carboxylate Traditional Name: (3S,4S,5S)-3-azido-5-(tert-butoxycarbonylamino)-4-methylsulfonyloxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C15H24N4O7S MolecularWeight: 404.43866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(C(C1)NC(=O)OC(C)(C)C)OS(=O)(=O)C)N=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C1=C[C@@H]([C@H]([C@H](C1)NC(=O)OC(C)(C)C)OS(=O)(=O)C)N=[N+]=[N-]

InChI

InChI=1S/C15H24N4O7S/c1-6-24-13(20)9-7-10(17-14(21)25-15(2,3)4)12(26-27(5,22)23)11(8-9)18-19-16/h8,10-12H,6-7H2,1-5H3,(H,17,21)/t10-,11-,12-/m0/s1