ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-3-methyl-6-benzofuranyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C31H27N3O5S MolecularWeight: 553.62818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)C(=C(O2)CCC3=CC=C(C=C3)C#N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)C(=C(O2)CCC3=CC=C(C=C3)C#N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H27N3O5S/c1-3-38-30(35)20-34(40(36,37)29-8-4-6-24-7-5-17-33-31(24)29)25-14-15-26-21(2)27(39-28(26)18-25)16-13-22-9-11-23(19-32)12-10-22/h4-12,14-15,17-18H,3,13,16,20H2,1-2H3