ethyl 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethylamino]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethylamino]ethanoate dihydrochloride Openeye Name: ethyl 2-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethylamino]acetate dihydrochloride CAS Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethylamino]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethylamino]acetate dihydrochloride Traditional Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethylamino]acetic acid ethyl ester dihydrochloride Formula: C20H26Cl2N4O2S2 MolecularWeight: 489.48204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C.Cl.Cl

Isomeric SMILES

CCOC(=O)CNCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C.Cl.Cl

InChI

InChI=1S/C20H24N4O2S2.2ClH/c1-3-26-19(25)12-21-10-11-27-18-8-9-22-17(14(18)2)13-28-20-23-15-6-4-5-7-16(15)24-20;;/h4-9,21H,3,10-13H2,1-2H3,(H,23,24);2*1H