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

Systemtic Name: ethyl 2-[[2-[(4-cyanophenyl)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-cyanophenyl)methyl]-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-cyanophenyl)methyl]-1,3-benzothiazol-5-yl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyanophenyl)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-(4-cyanobenzyl)-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C28H22N4O4S2 MolecularWeight: 542.62868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)SC(=N2)CC3=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)SC(=N2)CC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H22N4O4S2/c1-2-36-27(33)18-32(38(34,35)25-7-3-5-21-6-4-14-30-28(21)25)22-12-13-24-23(16-22)31-26(37-24)15-19-8-10-20(17-29)11-9-19/h3-14,16H,2,15,18H2,1H3