[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl 3-(cyanoamino)-3-oxidanylidene-propanoate

Systemtic Name: [4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl 3-(cyanoamino)-3-oxidanylidene-propanoate Openeye Name: [4-(dimethylaminomethyl)-2-pyridyl]methylsulfanyl 3-(cyanoamino)-3-oxo-propanoate CAS Name: 3-(cyanoamino)-3-oxopropanoic acid [[4-(dimethylaminomethyl)-2-pyridinyl]methylthio] ester IUPAC Name: [4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl 3-(cyanoamino)-3-oxopropanoate Traditional Name: 3-(cyanoamino)-3-keto-propionic acid [[4-(dimethylaminomethyl)-2-pyridyl]methylthio] ester Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=NC=C1)CSOC(=O)CC(=O)NC#N

Isomeric SMILES

CN(C)CC1=CC(=NC=C1)CSOC(=O)CC(=O)NC#N

InChI

InChI=1S/C13H16N4O3S/c1-17(2)7-10-3-4-15-11(5-10)8-21-20-13(19)6-12(18)16-9-14/h3-5H,6-8H2,1-2H3,(H,16,18)