[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16N2O3S/c1-12-16-5-3-4-6-17(16)26-18(12)20(24)25-13(2)19(23)22-15-9-7-14(11-21)8-10-15/h3-10,13H,1-2H3,(H,22,23)/t13-/m0/s1