(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCCC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C25H21NO3S/c1-17-10-12-18(13-11-17)22-16-20(19-6-2-3-7-21(19)26-22)25(28)29-14-4-8-23(27)24-9-5-15-30-24/h2-3,5-7,9-13,15-16H,4,8,14H2,1H3