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

Systemtic Name: ethyl 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(3-ethoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: ethyl 3-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-(3-ethoxy-3-oxo-propyl)amino]propanoate CAS Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(3-ethoxy-3-oxopropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-(3-ethoxy-3-oxopropyl)amino]propanoate Traditional Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-(3-ethoxy-3-keto-propyl)amino]propionic acid ethyl ester Formula: C27H36N4O4S2 MolecularWeight: 544.72914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCN(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CCC(=O)OCC

InChI

InChI=1S/C27H36N4O4S2/c1-4-34-25(32)12-16-31(17-13-26(33)35-5-2)15-8-18-36-24-11-14-28-23(20(24)3)19-37-27-29-21-9-6-7-10-22(21)30-27/h6-7,9-11,14H,4-5,8,12-13,15-19H2,1-3H3,(H,29,30)