7,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: 7,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: 7,8-dimethyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 7,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxylate IUPAC Name: 7,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 7,8-dimethyl-2-(2-thienyl)cinchoninate Formula: C16H12NO2S- MolecularWeight: 282.33698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=CS3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=CS3)C(=O)[O-])C

InChI

InChI=1S/C16H13NO2S/c1-9-5-6-11-12(16(18)19)8-13(14-4-3-7-20-14)17-15(11)10(9)2/h3-8H,1-2H3,(H,18,19)/p-1