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

Systemtic Name: ethyl 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(4-ethoxy-4-oxidanylidene-butyl)amino]butanoate Openeye Name: ethyl 4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-(4-ethoxy-4-oxo-butyl)amino]butanoate CAS Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(4-ethoxy-4-oxobutyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-(4-ethoxy-4-oxobutyl)amino]butanoate Traditional Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-(4-ethoxy-4-keto-butyl)amino]butyric acid ethyl ester Formula: C28H38N4O4S2 MolecularWeight: 558.75572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(CCCC(=O)OCC)CCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)CCCN(CCCC(=O)OCC)CCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C28H38N4O4S2/c1-4-35-26(33)12-8-16-32(17-9-13-27(34)36-5-2)18-19-37-25-14-15-29-24(21(25)3)20-38-28-30-22-10-6-7-11-23(22)31-28/h6-7,10-11,14-15H,4-5,8-9,12-13,16-20H2,1-3H3,(H,30,31)