[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H19FN2O3S MolecularWeight: 350.407763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN2O3S/c18-13-3-5-14(6-4-13)24-10-7-16(22)23-11-15(21)20-17(12-19)8-1-2-9-17/h3-6H,1-2,7-11H2,(H,20,21)