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

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-[(4-carbamimidoylphenyl)amino]propanoate Openeye Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(2-pyridyl)amino]-3-(4-carbamimidoylanilino)propanoate CAS Name: 2-[[1,3-benzothiazol-5-yloxy(oxo)methyl]-(2-pyridinyl)amino]-3-(4-carbamimidoylanilino)propanoic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-(4-carbamimidoylanilino)propanoate Traditional Name: 3-(4-amidinoanilino)-2-[1,3-benzothiazol-5-yloxycarbonyl(2-pyridyl)amino]propionic acid ethyl ester Formula: C25H24N6O4S MolecularWeight: 504.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC1=CC=C(C=C1)C(=N)N)N(C2=CC=CC=N2)C(=O)OC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

CCOC(=O)C(CNC1=CC=C(C=C1)C(=N)N)N(C2=CC=CC=N2)C(=O)OC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C25H24N6O4S/c1-2-34-24(32)20(14-29-17-8-6-16(7-9-17)23(26)27)31(22-5-3-4-12-28-22)25(33)35-18-10-11-21-19(13-18)30-15-36-21/h3-13,15,20,29H,2,14H2,1H3,(H3,26,27)