ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1,3-benzothiazol-5-yl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-(4-amidinobenzyl)-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C28H25N5O4S2 MolecularWeight: 559.6592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)SC(=N2)CC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)SC(=N2)CC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H25N5O4S2/c1-2-37-26(34)17-33(39(35,36)24-7-3-5-19-6-4-14-31-27(19)24)21-12-13-23-22(16-21)32-25(38-23)15-18-8-10-20(11-9-18)28(29)30/h3-14,16H,2,15,17H2,1H3,(H3,29,30)