[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5S/c1-13(19(23)21(2)12-14-6-4-3-5-7-14)27-20(24)18-11-15-10-16(22(25)26)8-9-17(15)28-18/h3-11,13H,12H2,1-2H3