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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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