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

Systemtic Name: ethyl 5-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(5-ethoxy-5-oxidanylidene-pentanoyl)amino]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-(5-ethoxy-5-oxo-pentanoyl)amino]-5-oxo-pentanoate CAS Name: 5-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(5-ethoxy-1,5-dioxopentyl)amino]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-(5-ethoxy-5-oxopentanoyl)amino]-5-oxopentanoate Traditional Name: 5-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-(5-ethoxy-5-keto-pentanoyl)amino]-5-keto-valeric acid ethyl ester Formula: C31H40N4O6S2 MolecularWeight: 628.8025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N4O6S2/c1-4-40-29(38)15-8-13-27(36)35(28(37)14-9-16-30(39)41-5-2)19-10-20-42-26-17-18-32-25(22(26)3)21-43-31-33-23-11-6-7-12-24(23)34-31/h6-7,11-12,17-18H,4-5,8-10,13-16,19-21H2,1-3H3,(H,33,34)