methyl 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]ethanoate

Systemtic Name: methyl 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]ethanoate Openeye Name: methyl 2-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]acetate CAS Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]acetate Traditional Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]acetic acid methyl ester Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CC4=CC=CC=C4)CC(=O)OC

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CC4=CC=CC=C4)CC(=O)OC

InChI

InChI=1S/C26H28N4O2S2/c1-19-23(18-34-26-28-21-10-6-7-11-22(21)29-26)27-13-12-24(19)33-15-14-30(17-25(31)32-2)16-20-8-4-3-5-9-20/h3-13H,14-18H2,1-2H3,(H,28,29)