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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO3S/c1-13-16-10-6-7-11-17(16)25-18(13)20(23)24-14(2)19(22)21-12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,21,22)/t14-/m0/s1