[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C16H15F3N2O3S MolecularWeight: 372.36211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C16H15F3N2O3S/c1-15(9-20,11-4-5-11)21-13(22)8-24-14(23)10-2-6-12(7-3-10)25-16(17,18)19/h2-3,6-7,11H,4-5,8H2,1H3,(H,21,22)/t15-/m0/s1