ethyl 6-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]hexanoate

Systemtic Name: ethyl 6-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]hexanoate Openeye Name: ethyl 6-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]hexanoate CAS Name: 6-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]hexanoate Traditional Name: 6-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]hexanoic acid ethyl ester Formula: C31H38N4O2S2 MolecularWeight: 562.78902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N4O2S2/c1-3-37-30(36)16-8-5-11-19-35(22-25-12-6-4-7-13-25)20-21-38-29-17-18-32-28(24(29)2)23-39-31-33-26-14-9-10-15-27(26)34-31/h4,6-7,9-10,12-15,17-18H,3,5,8,11,16,19-23H2,1-2H3,(H,33,34)