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

Systemtic Name: ethyl 2-[[4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl]morpholin-2-yl]methoxy]ethanoate Openeye Name: ethyl 2-[[4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl]morpholin-2-yl]methoxy]acetate CAS Name: 2-[[4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl]-2-morpholinyl]methoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl]morpholin-2-yl]methoxy]acetate Traditional Name: 2-[[4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl]morpholin-2-yl]methoxy]acetic acid ethyl ester Formula: C25H32N4O4S2 MolecularWeight: 516.67598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COCC1CN(CCO1)CCSC2=C(C(=NC=C2)CSC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CCOC(=O)COCC1CN(CCO1)CCSC2=C(C(=NC=C2)CSC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C25H32N4O4S2/c1-3-32-24(30)16-31-15-19-14-29(10-12-33-19)11-13-34-23-8-9-26-22(18(23)2)17-35-25-27-20-6-4-5-7-21(20)28-25/h4-9,19H,3,10-17H2,1-2H3,(H,27,28)