3-methylbutyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride

Systemtic Name: 3-methylbutyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: isopentyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 3-methylbutyl ester hydrochloride IUPAC Name: 3-methylbutyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid isoamyl ester hydrochloride Formula: C14H21ClN2O2S MolecularWeight: 316.84674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(C1=CC=CC=N1)C(=S)NC.Cl

Isomeric SMILES

CC(C)CCOC(=O)C(C1=CC=CC=N1)C(=S)NC.Cl

InChI

InChI=1S/C14H20N2O2S.ClH/c1-10(2)7-9-18-14(17)12(13(19)15-3)11-6-4-5-8-16-11;/h4-6,8,10,12H,7,9H2,1-3H3,(H,15,19);1H