3-methylbutyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride

Systemtic Name: 3-methylbutyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: isopentyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 3-methylbutyl ester hydrochloride IUPAC Name: 3-methylbutyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid isoamyl ester hydrochloride Formula: C13H19ClN2O2S MolecularWeight: 302.82016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S.ClH/c1-9(2)6-8-17-13(16)11(12(14)18)10-5-3-4-7-15-10;/h3-5,7,9,11H,6,8H2,1-2H3,(H2,14,18);1H