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

Systemtic Name: [(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19NO4S MolecularWeight: 381.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4S/c1-12-17-9-4-5-10-18(17)27-19(12)21(25)26-14(3)20(24)22-16-8-6-7-15(11-16)13(2)23/h4-11,14H,1-3H3,(H,22,24)/t14-/m0/s1