ethyl 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(4-ethoxy-4-oxidanylidene-butyl)amino]butanoate

Systemtic Name: ethyl 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(4-ethoxy-4-oxidanylidene-butyl)amino]butanoate Openeye Name: ethyl 4-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-(4-ethoxy-4-oxo-butyl)amino]butanoate CAS Name: 4-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(4-ethoxy-4-oxobutyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-(4-ethoxy-4-oxobutyl)amino]butanoate Traditional Name: 4-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-(4-ethoxy-4-keto-butyl)amino]butyric acid ethyl ester Formula: C29H40N4O4S2 MolecularWeight: 572.7823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(CCCC(=O)OCC)CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)CCCN(CCCC(=O)OCC)CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C29H40N4O4S2/c1-4-36-27(34)13-8-17-33(18-9-14-28(35)37-5-2)19-10-20-38-26-15-16-30-25(22(26)3)21-39-29-31-23-11-6-7-12-24(23)32-29/h6-7,11-12,15-16H,4-5,8-10,13-14,17-21H2,1-3H3,(H,31,32)