ethyl 2-[[2-[2-(5-carbamimidoylthiophen-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(5-carbamimidoylthiophen-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(5-carbamimidoyl-2-thienyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(5-carbamimidoyl-2-thiophenyl)ethyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(5-carbamimidoylthiophen-2-yl)ethyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(5-amidino-2-thienyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C28H28N6O4S2 MolecularWeight: 576.68972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(S3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(S3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H28N6O4S2/c1-3-38-26(35)17-34(40(36,37)24-8-4-6-18-7-5-15-31-27(18)24)19-9-12-22-21(16-19)32-25(33(22)2)14-11-20-10-13-23(39-20)28(29)30/h4-10,12-13,15-16H,3,11,14,17H2,1-2H3,(H3,29,30)