cyclohexanamine; 2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid

Systemtic Name: cyclohexanamine; 2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: cyclohexanamine; 2-(5-methyl-2-thienyl)quinoline-4-carboxylic acid CAS Name: cyclohexanamine; 2-(5-methyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: cyclohexanamine; 2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: cyclohexylamine; 2-(5-methyl-2-thienyl)cinchoninic acid Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1CCC(CC1)N

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C15H11NO2S.C6H13N/c1-9-6-7-14(19-9)13-8-11(15(17)18)10-4-2-3-5-12(10)16-13;7-6-4-2-1-3-5-6/h2-8H,1H3,(H,17,18);6H,1-5,7H2