[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-20(12-22,13-4-5-13)24-17(25)11-27-19(26)16-3-2-10-23-18(16)28-15-8-6-14(21)7-9-15/h2-3,6-10,13H,4-5,11H2,1H3,(H,24,25)/t20-/m0/s1