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

Systemtic Name: cyclohexylmethyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: cyclohexylmethyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid cyclohexylmethyl ester hydrochloride IUPAC Name: cyclohexylmethyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid cyclohexylmethyl ester hydrochloride Formula: C15H21ClN2O2S MolecularWeight: 328.85744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

Isomeric SMILES

C1CCC(CC1)COC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

InChI

InChI=1S/C15H20N2O2S.ClH/c16-14(20)13(12-8-4-5-9-17-12)15(18)19-10-11-6-2-1-3-7-11;/h4-5,8-9,11,13H,1-3,6-7,10H2,(H2,16,20);1H