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

Systemtic Name: 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazole-5-carbonyl]-(2-pyridyl)amino]acetic acid CAS Name: 2-[[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazol-5-yl]-oxomethyl]-(2-pyridinyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1,3-benzothiazole-5-carbonyl]-pyridin-2-ylamino]acetic acid Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-1,3-benzothiazole-5-carbonyl]-(2-pyridyl)amino]acetic acid Formula: C23H20N6O3S MolecularWeight: 460.5083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)SC(=N3)CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=NC(=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)SC(=N3)CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H20N6O3S/c24-22(25)14-4-7-16(8-5-14)27-12-20-28-17-11-15(6-9-18(17)33-20)23(32)29(13-21(30)31)19-3-1-2-10-26-19/h1-11,27H,12-13H2,(H3,24,25)(H,30,31)