ethyl 3-[[2-[[(5-cyano-1,3-thiazol-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(5-cyano-1,3-thiazol-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[[(5-cyanothiazol-2-yl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[[(5-cyano-2-thiazolyl)amino]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[(5-cyano-1,3-thiazol-2-yl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[[(5-cyanothiazol-2-yl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C24H23N7O3S MolecularWeight: 489.54952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=NC=C(S4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=NC=C(S4)C#N)C

InChI

InChI=1S/C24H23N7O3S/c1-3-34-22(32)9-11-31(20-6-4-5-10-26-20)23(33)16-7-8-19-18(12-16)29-21(30(19)2)15-28-24-27-14-17(13-25)35-24/h4-8,10,12,14H,3,9,11,15H2,1-2H3,(H,27,28)