ethyl 3-[(3-ethylpiperidin-1-yl)amino]-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: ethyl 3-[(3-ethylpiperidin-1-yl)amino]-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: ethyl 3-[(3-ethyl-1-piperidyl)amino]-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-[(3-ethyl-1-piperidinyl)amino]-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-ethylpiperidin-1-yl)amino]-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-[(3-ethylpiperidino)amino]-2-(2-pyridyl)-3-thioxo-propionic acid ethyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)NC(=S)C(C2=CC=CC=N2)C(=O)OCC

Isomeric SMILES

CCC1CCCN(C1)NC(=S)C(C2=CC=CC=N2)C(=O)OCC

InChI

InChI=1S/C17H25N3O2S/c1-3-13-8-7-11-20(12-13)19-16(23)15(17(21)22-4-2)14-9-5-6-10-18-14/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,19,23)