5,7-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: 5,7-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: 5,7-dimethyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 5,7-dimethyl-2-thiophen-2-yl-4-quinolinecarboxylate IUPAC Name: 5,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 5,7-dimethyl-2-(2-thienyl)cinchoninate Formula: C16H12NO2S- MolecularWeight: 282.33698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=NC2=C1)C3=CC=CS3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=CC(=NC2=C1)C3=CC=CS3)C(=O)[O-])C

InChI

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