2-(5-ethylthiophen-2-yl)-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-ethylthiophen-2-yl)-3-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-ethyl-2-thienyl)-3-methyl-quinoline-4-carboxylic acid CAS Name: 2-(5-ethyl-2-thiophenyl)-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-ethylthiophen-2-yl)-3-methylquinoline-4-carboxylic acid Traditional Name: 2-(5-ethyl-2-thienyl)-3-methyl-cinchoninic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O

InChI

InChI=1S/C17H15NO2S/c1-3-11-8-9-14(21-11)16-10(2)15(17(19)20)12-6-4-5-7-13(12)18-16/h4-9H,3H2,1-2H3,(H,19,20)