[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [(1R)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [(1R)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-14(19(23)20(2)12-15-6-4-3-5-7-15)26-18(22)13-27-17-10-8-16(9-11-17)21(24)25/h3-11,14H,12-13H2,1-2H3/t14-/m1/s1