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

Systemtic Name: (4-propylcyclohexyl)methyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: (4-propylcyclohexyl)methyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid (4-propylcyclohexyl)methyl ester hydrochloride IUPAC Name: (4-propylcyclohexyl)methyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid (4-propylcyclohexyl)methyl ester hydrochloride Formula: C18H27ClN2O2S MolecularWeight: 370.93718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)COC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

Isomeric SMILES

CCCC1CCC(CC1)COC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

InChI

InChI=1S/C18H26N2O2S.ClH/c1-2-5-13-7-9-14(10-8-13)12-22-18(21)16(17(19)23)15-6-3-4-11-20-15;/h3-4,6,11,13-14,16H,2,5,7-10,12H2,1H3,(H2,19,23);1H