cyclohexylmethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: cyclohexylmethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: cyclohexylmethyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid cyclohexylmethyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(C1=CC=CC=N1)C(=O)OCC2CCCCC2

Isomeric SMILES

CNC(=S)C(C1=CC=CC=N1)C(=O)OCC2CCCCC2

InChI

InChI=1S/C16H22N2O2S/c1-17-15(21)14(13-9-5-6-10-18-13)16(19)20-11-12-7-3-2-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,17,21)