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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C20H16F3NO3S MolecularWeight: 407.40615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H16F3NO3S/c1-11-13-7-3-6-10-16(13)28-17(11)19(26)27-12(2)18(25)24-15-9-5-4-8-14(15)20(21,22)23/h3-10,12H,1-2H3,(H,24,25)/t12-/m0/s1