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

Systemtic Name: methyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1,3-benzothiazol-5-yl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-amidinophenoxy)methyl]-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester Formula: C27H23N5O5S2 MolecularWeight: 561.63202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C1=CC2=C(C=C1)SC(=N2)COC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC(=O)CN(C1=CC2=C(C=C1)SC(=N2)COC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H23N5O5S2/c1-36-25(33)15-32(39(34,35)23-6-2-4-17-5-3-13-30-26(17)23)19-9-12-22-21(14-19)31-24(38-22)16-37-20-10-7-18(8-11-20)27(28)29/h2-14H,15-16H2,1H3,(H3,28,29)