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

Systemtic Name: (4-butylcyclohexyl)methyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: (4-butylcyclohexyl)methyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid (4-butylcyclohexyl)methyl ester hydrochloride IUPAC Name: (4-butylcyclohexyl)methyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid (4-butylcyclohexyl)methyl ester hydrochloride Formula: C19H29ClN2O2S MolecularWeight: 384.96376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)COC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

Isomeric SMILES

CCCCC1CCC(CC1)COC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

InChI

InChI=1S/C19H28N2O2S.ClH/c1-2-3-6-14-8-10-15(11-9-14)13-23-19(22)17(18(20)24)16-7-4-5-12-21-16;/h4-5,7,12,14-15,17H,2-3,6,8-11,13H2,1H3,(H2,20,24);1H