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

Systemtic Name: 2-(2,5-dimethylthiophen-3-yl)-6-methoxy-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dimethyl-3-thienyl)-6-methoxy-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dimethyl-3-thiophenyl)-6-methoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dimethylthiophen-3-yl)-6-methoxyquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dimethyl-3-thienyl)-6-methoxy-cinchoninic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)OC)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)OC)C(=C2)C(=O)O

InChI

InChI=1S/C17H15NO3S/c1-9-6-12(10(2)22-9)16-8-14(17(19)20)13-7-11(21-3)4-5-15(13)18-16/h4-8H,1-3H3,(H,19,20)