[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-9(14(19)17-16(2,3)4)23-15(20)13-8-10-7-11(18(21)22)5-6-12(10)24-13/h5-9H,1-4H3,(H,17,19)/t9-/m1/s1