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

Systemtic Name: ethyl 2-[[2-[2-(5-cyanothiophen-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(5-cyano-2-thienyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(5-cyano-2-thiophenyl)ethyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(5-cyanothiophen-2-yl)ethyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(5-cyano-2-thienyl)ethyl]-1-methyl-benzimidazol-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)N(C(=N2)CCC3=CC=C(S3)C#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)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H25N5O4S2/c1-3-37-27(34)18-33(39(35,36)25-8-4-6-19-7-5-15-30-28(19)25)20-9-13-24-23(16-20)31-26(32(24)2)14-12-21-10-11-22(17-29)38-21/h4-11,13,15-16H,3,12,14,18H2,1-2H3