(3,3-dimethyl-2-oxidanylidene-butyl) 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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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=C(S3)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H18ClNO3S/c1-20(2,3)17(23)11-25-19(24)13-10-15(16-8-9-18(21)26-16)22-14-7-5-4-6-12(13)14/h4-10H,11H2,1-3H3