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

Systemtic Name: cyclohexylmethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: cyclohexylmethyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid cyclohexylmethyl ester hydrochloride IUPAC Name: cyclohexylmethyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid cyclohexylmethyl ester hydrochloride Formula: C16H23ClN2O2S MolecularWeight: 342.88402

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(C1=CC=CC=N1)C(=O)OCC2CCCCC2.Cl

Isomeric SMILES

CNC(=S)C(C1=CC=CC=N1)C(=O)OCC2CCCCC2.Cl

InChI

InChI=1S/C16H22N2O2S.ClH/c1-17-15(21)14(13-9-5-6-10-18-13)16(19)20-11-12-7-3-2-4-8-12;/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,17,21);1H