(4-bromophenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (4-bromophenyl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (4-bromobenzyl) ester Formula: C21H14BrNO2S MolecularWeight: 424.31036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrNO2S/c22-15-9-7-14(8-10-15)13-25-21(24)17-12-19(20-6-3-11-26-20)23-18-5-2-1-4-16(17)18/h1-12H,13H2