2-[[2-(2-methoxyphenyl)-6-methyl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(2-methoxyphenyl)-6-methyl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(2-methoxyphenyl)-6-methyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(2-methoxyphenyl)-6-methyl-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(2-methoxyphenyl)-6-methylquinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(2-methoxyphenyl)-6-methyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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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)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=S)N(C)CC(=O)O)C3=CC=CC=C3OC

InChI

InChI=1S/C21H20N2O3S/c1-13-8-9-17-15(10-13)16(21(27)23(2)12-20(24)25)11-18(22-17)14-6-4-5-7-19(14)26-3/h4-11H,12H2,1-3H3,(H,24,25)