ethyl 5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]pentanoate

Systemtic Name: ethyl 5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]pentanoate Openeye Name: ethyl 5-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]pentanoate CAS Name: 5-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]pentanoate Traditional Name: 5-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]valeric acid ethyl ester Formula: C30H36N4O2S2 MolecularWeight: 548.76244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O2S2/c1-3-36-29(35)15-9-10-18-34(21-24-11-5-4-6-12-24)19-20-37-28-16-17-31-27(23(28)2)22-38-30-32-25-13-7-8-14-26(25)33-30/h4-8,11-14,16-17H,3,9-10,15,18-22H2,1-2H3,(H,32,33)