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

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-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] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S/c1-10(15(20)18-9-12-4-3-7-25-12)24-16(21)13-8-11(19(22)23)5-6-14(13)17-2/h3-8,10,17H,9H2,1-2H3,(H,18,20)/t10-/m1/s1