2,2-dimethylpropyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: 2,2-dimethylpropyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: 2,2-dimethylpropyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid neopentyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C(C1=CC=CC=N1)C(=S)NC

Isomeric SMILES

CC(C)(C)COC(=O)C(C1=CC=CC=N1)C(=S)NC

InChI

InChI=1S/C14H20N2O2S/c1-14(2,3)9-18-13(17)11(12(19)15-4)10-7-5-6-8-16-10/h5-8,11H,9H2,1-4H3,(H,15,19)