[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6S/c1-10(14(21)17-15(22)18-16(2,3)4)25-13(20)9-26-12-8-6-5-7-11(12)19(23)24/h5-8,10H,9H2,1-4H3,(H2,17,18,21,22)/t10-/m1/s1