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

Systemtic Name: (4-pentylcyclohexyl)methyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: (4-pentylcyclohexyl)methyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid (4-pentylcyclohexyl)methyl ester hydrochloride IUPAC Name: (4-pentylcyclohexyl)methyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid (4-amylcyclohexyl)methyl ester hydrochloride Formula: C21H33ClN2O2S MolecularWeight: 413.01692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O2S.ClH/c1-3-4-5-8-16-10-12-17(13-11-16)15-25-21(24)19(20(26)22-2)18-9-6-7-14-23-18;/h6-7,9,14,16-17,19H,3-5,8,10-13,15H2,1-2H3,(H,22,26);1H