(3,3-dimethyl-2-oxidanylidene-butyl) 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H19NO3S/c1-20(2,3)18(22)12-24-19(23)14-11-16(17-9-6-10-25-17)21-15-8-5-4-7-13(14)15/h4-11H,12H2,1-3H3