(4-pentylcyclohexyl)methyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride

Systemtic Name: (4-pentylcyclohexyl)methyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: (4-pentylcyclohexyl)methyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid (4-pentylcyclohexyl)methyl ester hydrochloride IUPAC Name: (4-pentylcyclohexyl)methyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid (4-amylcyclohexyl)methyl ester hydrochloride Formula: C20H31ClN2O2S MolecularWeight: 398.99034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)COC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

Isomeric SMILES

CCCCCC1CCC(CC1)COC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

InChI

InChI=1S/C20H30N2O2S.ClH/c1-2-3-4-7-15-9-11-16(12-10-15)14-24-20(23)18(19(21)25)17-8-5-6-13-22-17;/h5-6,8,13,15-16,18H,2-4,7,9-12,14H2,1H3,(H2,21,25);1H