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

Systemtic Name: ethyl 2-[[2-[[(4-cyanophenyl)amino]methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazol-5-yl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C28H23N5O4S2 MolecularWeight: 557.64332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)SC(=N2)CNC3=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)CNC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H23N5O4S2/c1-2-37-27(34)18-33(39(35,36)25-7-3-5-20-6-4-14-30-28(20)25)22-12-13-24-23(15-22)32-26(38-24)17-31-21-10-8-19(16-29)9-11-21/h3-15,31H,2,17-18H2,1H3