1-cyclohexylethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: 1-cyclohexylethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: 1-cyclohexylethyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 1-cyclohexylethyl ester IUPAC Name: 1-cyclohexylethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid 1-cyclohexylethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)OC(=O)C(C2=CC=CC=N2)C(=S)NC

Isomeric SMILES

CC(C1CCCCC1)OC(=O)C(C2=CC=CC=N2)C(=S)NC

InChI

InChI=1S/C17H24N2O2S/c1-12(13-8-4-3-5-9-13)21-17(20)15(16(22)18-2)14-10-6-7-11-19-14/h6-7,10-13,15H,3-5,8-9H2,1-2H3,(H,18,22)