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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3S/c1-9(2)17-15(18)11(4)20-16(19)14-10(3)12-7-5-6-8-13(12)21-14/h5-9,11H,1-4H3,(H,17,18)/t11-/m0/s1