ethyl 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: ethyl 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: ethyl 2-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-(2-ethoxy-2-oxo-ethyl)amino]acetate CAS Name: 2-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(2-ethoxy-2-oxoethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-(2-ethoxy-2-oxoethyl)amino]acetate Traditional Name: 2-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-(2-ethoxy-2-keto-ethyl)amino]acetic acid ethyl ester Formula: C25H32N4O4S2 MolecularWeight: 516.67598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CN(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC(=O)OCC

InChI

InChI=1S/C25H32N4O4S2/c1-4-32-23(30)15-29(16-24(31)33-5-2)13-8-14-34-22-11-12-26-21(18(22)3)17-35-25-27-19-9-6-7-10-20(19)28-25/h6-7,9-12H,4-5,8,13-17H2,1-3H3,(H,27,28)