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

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6S/c1-7(12(18)16-14(20)15-2)23-13(19)11-6-8-5-9(17(21)22)3-4-10(8)24-11/h3-7H,1-2H3,(H2,15,16,18,20)/t7-/m1/s1