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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)CC(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/c1-34-23(32)12-18(14-29-17-7-5-16(6-8-17)24(26)27)31(22-4-2-3-11-28-22)25(33)35-19-9-10-21-20(13-19)30-15-36-21/h2-11,13,15,18,29H,12,14H2,1H3,(H3,26,27)