2-[(7-methoxy-2-phenyl-quinolin-4-yl)carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(7-methoxy-2-phenyl-quinolin-4-yl)carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(7-methoxy-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[(7-methoxy-2-phenyl-4-quinolinyl)-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(7-methoxy-2-phenylquinoline-4-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(7-methoxy-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC(=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC(=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-22(12-19(23)24)20(26)16-11-17(13-6-4-3-5-7-13)21-18-10-14(25-2)8-9-15(16)18/h3-11H,12H2,1-2H3,(H,23,24)