[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-morpholinopyridine-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridinecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 2-morpholinonicotinic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1COCCN1C2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H20N4O4S/c21-7-13-29-17-6-2-1-5-16(17)23-18(25)14-28-20(26)15-4-3-8-22-19(15)24-9-11-27-12-10-24/h1-6,8H,9-14H2,(H,23,25)