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

Systemtic Name: ethyl 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]propanoate CAS Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]propanoate Traditional Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]propionic acid ethyl ester Formula: C28H32N4O2S2 MolecularWeight: 520.70928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O2S2/c1-3-34-27(33)14-16-32(19-22-9-5-4-6-10-22)17-18-35-26-13-15-29-25(21(26)2)20-36-28-30-23-11-7-8-12-24(23)31-28/h4-13,15H,3,14,16-20H2,1-2H3,(H,30,31)