[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O5S/c1-11-13-7-3-6-10-16(13)27-17(11)19(23)26-12(2)18(22)20-14-8-4-5-9-15(14)21(24)25/h3-10,12H,1-2H3,(H,20,22)/t12-/m0/s1