2-(5-methylthiophen-2-yl)-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-methylthiophen-2-yl)-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 8-isopropyl-2-(5-methyl-2-thienyl)quinoline-4-carboxylic acid CAS Name: 2-(5-methyl-2-thiophenyl)-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-methylthiophen-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 8-isopropyl-2-(5-methyl-2-thienyl)cinchoninic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=C(C=CC=C3C(C)C)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=C(C=CC=C3C(C)C)C(=C2)C(=O)O

InChI

InChI=1S/C18H17NO2S/c1-10(2)12-5-4-6-13-14(18(20)21)9-15(19-17(12)13)16-8-7-11(3)22-16/h4-10H,1-3H3,(H,20,21)