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

Systemtic Name: [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S/c1-14-17-11-7-8-12-18(17)26-19(14)21(24)25-15(2)20(23)22(3)13-16-9-5-4-6-10-16/h4-12,15H,13H2,1-3H3/t15-/m0/s1