[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C17H18N2O6S MolecularWeight: 378.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-3-24-15-7-6-12(9-14(15)19(22)23)17(21)25-11(2)16(20)18-10-13-5-4-8-26-13/h4-9,11H,3,10H2,1-2H3,(H,18,20)/t11-/m0/s1