4-cyclohexylbutyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride

Systemtic Name: 4-cyclohexylbutyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: 4-cyclohexylbutyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 4-cyclohexylbutyl ester hydrochloride IUPAC Name: 4-cyclohexylbutyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid 4-cyclohexylbutyl ester hydrochloride Formula: C18H27ClN2O2S MolecularWeight: 370.93718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O2S.ClH/c19-17(23)16(15-11-4-6-12-20-15)18(21)22-13-7-5-10-14-8-2-1-3-9-14;/h4,6,11-12,14,16H,1-3,5,7-10,13H2,(H2,19,23);1H