ethyl 3-[[2-[2-(5-cyanothiophen-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(5-cyanothiophen-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[2-(5-cyano-2-thienyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[2-(5-cyano-2-thiophenyl)ethyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(5-cyanothiophen-2-yl)ethyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[2-(5-cyano-2-thienyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid ethyl ester Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(S4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(S4)C#N)C

InChI

InChI=1S/C26H25N5O4S/c1-3-34-25(32)13-15-31(23-6-4-5-14-28-23)26(33)35-18-7-11-22-21(16-18)29-24(30(22)2)12-10-19-8-9-20(17-27)36-19/h4-9,11,14,16H,3,10,12-13,15H2,1-2H3