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

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21NO3S MolecularWeight: 319.41854

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S/c1-10-12-8-6-7-9-13(12)22-14(10)16(20)21-11(2)15(19)18-17(3,4)5/h6-9,11H,1-5H3,(H,18,19)/t11-/m0/s1