ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-5-yl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C29H24N4O5S MolecularWeight: 540.58966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)OC(=N2)CCC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)OC(=N2)CCC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H24N4O5S/c1-2-37-28(34)19-33(39(35,36)26-7-3-5-22-6-4-16-31-29(22)26)23-13-14-25-24(17-23)32-27(38-25)15-12-20-8-10-21(18-30)11-9-20/h3-11,13-14,16-17H,2,12,15,19H2,1H3