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

Systemtic Name: ethyl 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H30N4O2S2 MolecularWeight: 506.6827

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN(CCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2S2/c1-3-33-26(32)18-31(17-21-9-5-4-6-10-21)15-16-34-25-13-14-28-24(20(25)2)19-35-27-29-22-11-7-8-12-23(22)30-27/h4-14H,3,15-19H2,1-2H3,(H,29,30)