(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-phenylquinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-phenylquinoline-4-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO3S/c26-22(23-13-7-15-29-23)12-6-14-28-24(27)19-16-21(17-8-2-1-3-9-17)25-20-11-5-4-10-18(19)20/h1-5,7-11,13,15-16H,6,12,14H2