[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6S/c1-12(19(23)21-11-13-5-3-4-6-16(13)27-2)28-20(24)18-10-14-9-15(22(25)26)7-8-17(14)29-18/h3-10,12H,11H2,1-2H3,(H,21,23)/t12-/m1/s1