ethyl 2-azanyl-3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanyl-propanoate

Systemtic Name: ethyl 2-azanyl-3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanyl-propanoate Openeye Name: ethyl 2-amino-3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propanoate CAS Name: 2-amino-3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropanoate Traditional Name: 2-amino-3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propionic acid ethyl ester Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)N

Isomeric SMILES

CCOC(=O)C(CSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)N

InChI

InChI=1S/C19H22N4O2S2/c1-3-25-18(24)13(20)10-26-17-8-9-21-16(12(17)2)11-27-19-22-14-6-4-5-7-15(14)23-19/h4-9,13H,3,10-11,20H2,1-2H3,(H,22,23)