[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H10F3NO3S MolecularWeight: 317.28361

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C13H10F3NO3S/c1-2-7-17-11(18)8-20-12(19)9-3-5-10(6-4-9)21-13(14,15)16/h1,3-6H,7-8H2,(H,17,18)