[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1R)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1R)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-11(15(19)17(2)10-12-6-4-3-5-7-12)23-16(20)13-8-9-14(24-13)18(21)22/h3-9,11H,10H2,1-2H3/t11-/m1/s1