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

Systemtic Name: ethyl 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-benzyl-amino]propanoate CAS Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-benzylamino]propanoate Traditional Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-benzyl-amino]propionic acid ethyl ester Formula: C29H34N4O2S2 MolecularWeight: 534.73586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O2S2/c1-3-35-28(34)15-18-33(20-23-10-5-4-6-11-23)17-9-19-36-27-14-16-30-26(22(27)2)21-37-29-31-24-12-7-8-13-25(24)32-29/h4-8,10-14,16H,3,9,15,17-21H2,1-2H3,(H,31,32)