[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-14(19(23)20-12-11-15-5-3-2-4-6-15)26-18(22)13-27-17-9-7-16(8-10-17)21(24)25/h2-10,14H,11-13H2,1H3,(H,20,23)/t14-/m0/s1