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

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazole-5-carbonyl]-(2-pyridyl)amino]acetate CAS Name: 2-[[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazol-5-yl]-oxomethyl]-(2-pyridinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazole-5-carbonyl]-pyridin-2-ylamino]acetate Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-1,3-benzothiazole-5-carbonyl]-(2-pyridyl)amino]acetic acid ethyl ester Formula: C25H24N6O3S MolecularWeight: 488.56146

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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)CNC4=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)CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H24N6O3S/c1-2-34-23(32)15-31(21-5-3-4-12-28-21)25(33)17-8-11-20-19(13-17)30-22(35-20)14-29-18-9-6-16(7-10-18)24(26)27/h3-13,29H,2,14-15H2,1H3,(H3,26,27)