ethyl 5-cyano-6-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C2=CC=C(C=C2)F)C(=O)NC3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C2=CC=C(C=C2)F)C(=O)NC3CC3)C

InChI

InChI=1S/C21H20FN3O3S/c1-3-28-21(27)17-10-14(11-23)20(24-12(17)2)29-18(19(26)25-16-8-9-16)13-4-6-15(22)7-5-13/h4-7,10,16,18H,3,8-9H2,1-2H3,(H,25,26)