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

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-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] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S/c1-10(16(20)18-9-11-5-4-6-27-11)26-17(21)12-7-14(24-2)15(25-3)8-13(12)19(22)23/h4-8,10H,9H2,1-3H3,(H,18,20)/t10-/m1/s1