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

Systemtic Name: ethyl 5-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]pentanoate Openeye Name: ethyl 5-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-benzyl-amino]pentanoate CAS Name: 5-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(phenylmethyl)amino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-benzylamino]pentanoate Traditional Name: 5-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-benzyl-amino]valeric acid ethyl ester Formula: C31H38N4O2S2 MolecularWeight: 562.78902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCCCN(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC4=CC=CC=C4

InChI

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