[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-morpholin-4-yl-2-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)C2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-13(18(23)20-12-15-3-2-10-29-15)28-19(24)16-11-14(4-5-17(16)22(25)26)21-6-8-27-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,23)/t13-/m1/s1