2-(2,5-dimethylthiophen-3-yl)-6,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(2,5-dimethylthiophen-3-yl)-6,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dimethyl-3-thienyl)-6,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dimethyl-3-thiophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dimethylthiophen-3-yl)-6,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dimethyl-3-thienyl)-6,8-dimethyl-cinchoninic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=C(SC(=C3)C)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=C(SC(=C3)C)C)C(=O)O)C

InChI

InChI=1S/C18H17NO2S/c1-9-5-10(2)17-14(6-9)15(18(20)21)8-16(19-17)13-7-11(3)22-12(13)4/h5-8H,1-4H3,(H,20,21)