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

Systemtic Name: ethyl 3-[[2-[2-(5-carbamimidoylthiophen-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[2-(5-carbamimidoyl-2-thienyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[2-(5-carbamimidoyl-2-thiophenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(5-carbamimidoylthiophen-2-yl)ethyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[2-(5-amidino-2-thienyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C26H28N6O3S MolecularWeight: 504.60392

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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)CCC4=CC=C(S4)C(=N)N)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O3S/c1-3-35-24(33)13-15-32(22-6-4-5-14-29-22)26(34)17-7-10-20-19(16-17)30-23(31(20)2)12-9-18-8-11-21(36-18)25(27)28/h4-8,10-11,14,16H,3,9,12-13,15H2,1-2H3,(H3,27,28)