[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H19FN2O3S MolecularWeight: 350.407763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=CC=CC=C2F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=CC=CC=C2F

InChI

InChI=1S/C17H19FN2O3S/c18-13-6-2-3-7-14(13)24-11-16(22)23-10-15(21)20-17(12-19)8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-11H2,(H,20,21)