[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-(trifluoromethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-(trifluoromethyl)benzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C17H16F3NO3S2 MolecularWeight: 403.43905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)OCC(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C17H16F3NO3S2/c18-17(19,20)13-4-1-3-12(9-13)16(23)24-10-15(22)21-6-8-25-11-14-5-2-7-26-14/h1-5,7,9H,6,8,10-11H2,(H,21,22)