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

Systemtic Name: ethyl 5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(5-ethoxy-5-oxidanylidene-pentyl)amino]pentanoate Openeye Name: ethyl 5-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-(5-ethoxy-5-oxo-pentyl)amino]pentanoate CAS Name: 5-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(5-ethoxy-5-oxopentyl)amino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-(5-ethoxy-5-oxopentyl)amino]pentanoate Traditional Name: 5-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-(5-ethoxy-5-keto-pentyl)amino]valeric acid ethyl ester Formula: C30H42N4O4S2 MolecularWeight: 586.80888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN(CCCCC(=O)OCC)CCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)CCCCN(CCCCC(=O)OCC)CCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C30H42N4O4S2/c1-4-37-28(35)14-8-10-18-34(19-11-9-15-29(36)38-5-2)20-21-39-27-16-17-31-26(23(27)3)22-40-30-32-24-12-6-7-13-25(24)33-30/h6-7,12-13,16-17H,4-5,8-11,14-15,18-22H2,1-3H3,(H,32,33)