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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 8-methyl-2-(2-thienyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C3=CC=CS3

InChI

InChI=1S/C21H21NO3S/c1-13-7-5-8-14-15(20(24)25-12-18(23)21(2,3)4)11-16(22-19(13)14)17-9-6-10-26-17/h5-11H,12H2,1-4H3