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

Systemtic Name: 2-(2,5-dimethylthiophen-3-yl)-6-ethoxy-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dimethyl-3-thienyl)-6-ethoxy-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dimethyl-3-thiophenyl)-6-ethoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dimethylthiophen-3-yl)-6-ethoxyquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dimethyl-3-thienyl)-6-ethoxy-cinchoninic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(SC(=C3)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(SC(=C3)C)C

InChI

InChI=1S/C18H17NO3S/c1-4-22-12-5-6-16-14(8-12)15(18(20)21)9-17(19-16)13-7-10(2)23-11(13)3/h5-9H,4H2,1-3H3,(H,20,21)