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

Systemtic Name: ethyl 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethylamino]ethanoate Openeye Name: ethyl 2-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethylamino]acetate CAS Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethylamino]acetate Traditional Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethylamino]acetic acid ethyl ester Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S2/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)