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

Systemtic Name: ethyl 2-[[2-[[(4-cyanophenyl)amino]methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-cyanoanilino)methyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-cyanoanilino)methyl]-3-methyl-6-benzofuranyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyanoanilino)methyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-cyanoanilino)methyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C30H26N4O5S MolecularWeight: 554.61624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)C(=C(O2)CNC3=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)CNC3=CC=C(C=C3)C#N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H26N4O5S/c1-3-38-29(35)19-34(40(36,37)28-8-4-6-22-7-5-15-32-30(22)28)24-13-14-25-20(2)27(39-26(25)16-24)18-33-23-11-9-21(17-31)10-12-23/h4-16,33H,3,18-19H2,1-2H3