phenacyl 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-(2-thienyl)cinchoninic acid phenacyl ester Formula: C23H16BrNO3S MolecularWeight: 466.34704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H16BrNO3S/c1-14-10-16(24)11-17-18(12-19(25-22(14)17)21-8-5-9-29-21)23(27)28-13-20(26)15-6-3-2-4-7-15/h2-12H,13H2,1H3