ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazole-5-carbonyl]-(2-pyridyl)amino]acetate CAS Name: 2-[[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazol-5-yl]-oxomethyl]-(2-pyridinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzothiazole-5-carbonyl]-pyridin-2-ylamino]acetate Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1,3-benzothiazole-5-carbonyl]-(2-pyridyl)amino]acetic acid ethyl ester Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)SC(=N3)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)SC(=N3)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H25N5O3S/c1-2-34-24(32)16-31(22-5-3-4-14-29-22)26(33)19-11-12-21-20(15-19)30-23(35-21)13-8-17-6-9-18(10-7-17)25(27)28/h3-7,9-12,14-15H,2,8,13,16H2,1H3,(H3,27,28)