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

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-4-(4-carbamimidoylphenyl)butanoate Openeye Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(2-pyridyl)amino]-4-(4-carbamimidoylphenyl)butanoate CAS Name: 2-[[1,3-benzothiazol-5-yloxy(oxo)methyl]-(2-pyridinyl)amino]-4-(4-carbamimidoylphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-4-(4-carbamimidoylphenyl)butanoate Traditional Name: 4-(4-amidinophenyl)-2-[1,3-benzothiazol-5-yloxycarbonyl(2-pyridyl)amino]butyric acid ethyl ester Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=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(CCC1=CC=C(C=C1)C(=N)N)N(C2=CC=CC=N2)C(=O)OC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C26H25N5O4S/c1-2-34-25(32)21(12-8-17-6-9-18(10-7-17)24(27)28)31(23-5-3-4-14-29-23)26(33)35-19-11-13-22-20(15-19)30-16-36-22/h3-7,9-11,13-16,21H,2,8,12H2,1H3,(H3,27,28)