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

Systemtic Name: 3-cyclohexylpropyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: 3-cyclohexylpropyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 3-cyclohexylpropyl ester hydrochloride IUPAC Name: 3-cyclohexylpropyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid 3-cyclohexylpropyl ester hydrochloride Formula: C17H25ClN2O2S MolecularWeight: 356.9106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2S.ClH/c18-16(22)15(14-10-4-5-11-19-14)17(20)21-12-6-9-13-7-2-1-3-8-13;/h4-5,10-11,13,15H,1-3,6-9,12H2,(H2,18,22);1H