[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C15H16N4O3S/c1-23-14-12(5-2-8-18-14)15(21)22-11-13(20)19(9-3-6-16)10-4-7-17/h2,5,8H,3-4,9-11H2,1H3