6-butan-2-yl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 2-(5-methyl-2-thienyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 2-(5-methyl-2-thienyl)-6-sec-butyl-cinchoninic acid Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(S3)C

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(S3)C

InChI

InChI=1S/C19H19NO2S/c1-4-11(2)13-6-7-16-14(9-13)15(19(21)22)10-17(20-16)18-8-5-12(3)23-18/h5-11H,4H2,1-3H3,(H,21,22)