2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylate

Systemtic Name: 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylate Openeye Name: 2-(2,5-dimethyl-3-thienyl)quinoline-4-carboxylate CAS Name: 2-(2,5-dimethyl-3-thiophenyl)-4-quinolinecarboxylate IUPAC Name: 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylate Traditional Name: 2-(2,5-dimethyl-3-thienyl)cinchoninate Formula: C16H12NO2S- MolecularWeight: 282.33698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

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