cyclohexanamine; 3-methyl-2-thiophen-2-yl-quinoline-4-carboxylic acid

Systemtic Name: cyclohexanamine; 3-methyl-2-thiophen-2-yl-quinoline-4-carboxylic acid Openeye Name: cyclohexanamine; 3-methyl-2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: cyclohexanamine; 3-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: cyclohexanamine; 3-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: cyclohexylamine; 3-methyl-2-(2-thienyl)cinchoninic acid Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CS3)C(=O)O.C1CCC(CC1)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CS3)C(=O)O.C1CCC(CC1)N

InChI

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