[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO3S/c1-12-7-6-8-13(2)18(12)21-19(22)14(3)24-20(23)17-11-15-9-4-5-10-16(15)25-17/h4-11,14H,1-3H3,(H,21,22)/t14-/m0/s1