[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-(trifluoromethyl)benzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(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=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

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