(3,3-dimethyl-2-oxidanylidene-butyl) 8-chloranyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 8-chloranyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 8-chloro-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-thiophen-2-yl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 8-chloro-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 8-chloro-2-(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=C1C=CC=C2Cl)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC=CS3

InChI

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