2-methylpropyl 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: 2-methylpropyl 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: isobutyl 6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(2-thienyl)cinchoninic acid isobutyl ester Formula: C20H21NO2S MolecularWeight: 339.45124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(C)C)C

InChI

InChI=1S/C20H21NO2S/c1-12(2)11-23-20(22)16-10-17(18-6-5-7-24-18)21-19-14(4)8-13(3)9-15(16)19/h5-10,12H,11H2,1-4H3