2-[(2,6-dimethylquinolin-4-yl)carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(2,6-dimethylquinolin-4-yl)carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(2,6-dimethylquinoline-4-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[(2,6-dimethyl-4-quinolinyl)-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(2,6-dimethylquinoline-4-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(2,6-dimethylquinoline-4-carbothioyl)-methyl-amino]acetic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=S)N(C)CC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=S)N(C)CC(=O)O)C

InChI

InChI=1S/C15H16N2O2S/c1-9-4-5-13-11(6-9)12(7-10(2)16-13)15(20)17(3)8-14(18)19/h4-7H,8H2,1-3H3,(H,18,19)