[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(3-bromophenyl)thiazol-4-yl]methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-(3-bromophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(3-bromophenyl)thiazol-4-yl]methyl ester Formula: C22H15BrN2O2S MolecularWeight: 451.3357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=CC(=O)OCC3=CSC(=N3)C4=CC(=CC=C4)Br)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)/C=C/C(=O)OCC3=CSC(=N3)C4=CC(=CC=C4)Br)N=CC=C2

InChI

InChI=1S/C22H15BrN2O2S/c23-18-8-2-6-17(12-18)22-25-19(14-28-22)13-27-20(26)10-9-16-5-1-4-15-7-3-11-24-21(15)16/h1-12,14H,13H2/b10-9+