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

Systemtic Name: ethyl 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(3-ethoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: ethyl 3-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-(3-ethoxy-3-oxo-propyl)amino]propanoate CAS Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-(3-ethoxy-3-oxopropyl)amino]propanoate Traditional Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-(3-ethoxy-3-keto-propyl)amino]propionic acid ethyl ester Formula: C26H34N4O4S2 MolecularWeight: 530.70256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CCC(=O)OCC)CCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)CCN(CCC(=O)OCC)CCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C26H34N4O4S2/c1-4-33-24(31)11-14-30(15-12-25(32)34-5-2)16-17-35-23-10-13-27-22(19(23)3)18-36-26-28-20-8-6-7-9-21(20)29-26/h6-10,13H,4-5,11-12,14-18H2,1-3H3,(H,28,29)