[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C14H12F3NO3S MolecularWeight: 331.31019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C14H12F3NO3S/c1-8-9-4-2-3-5-10(9)22-12(8)13(20)21-6-11(19)18-7-14(15,16)17/h2-5H,6-7H2,1H3,(H,18,19)