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

Systemtic Name: ethyl 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropylamino]ethanoate Openeye Name: ethyl 2-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propylamino]acetate CAS Name: 2-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropylamino]acetate Traditional Name: 2-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propylamino]acetic acid ethyl ester Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNCCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)CNCCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C21H26N4O2S2/c1-3-27-20(26)13-22-10-6-12-28-19-9-11-23-18(15(19)2)14-29-21-24-16-7-4-5-8-17(16)25-21/h4-5,7-9,11,22H,3,6,10,12-14H2,1-2H3,(H,24,25)