[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C17H13F6NO3S MolecularWeight: 425.345439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F6NO3S/c18-16(19,20)11-6-10(7-12(8-11)17(21,22)23)15(26)27-9-14(25)24-4-3-13-2-1-5-28-13/h1-2,5-8H,3-4,9H2,(H,24,25)