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

Systemtic Name: ethyl 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]butanoate Openeye Name: ethyl 4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]butanoate CAS Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]butanoate Traditional Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]butyric acid ethyl ester Formula: C29H34N4O2S2 MolecularWeight: 534.73586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O2S2/c1-3-35-28(34)14-9-17-33(20-23-10-5-4-6-11-23)18-19-36-27-15-16-30-26(22(27)2)21-37-29-31-24-12-7-8-13-25(24)32-29/h4-8,10-13,15-16H,3,9,14,17-21H2,1-2H3,(H,31,32)