[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C)C

InChI

InChI=1S/C25H21NO3S/c1-15-11-17(3)19(12-16(15)2)23(27)14-29-25(28)20-13-22(24-9-6-10-30-24)26-21-8-5-4-7-18(20)21/h4-13H,14H2,1-3H3