2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]acetic acid CAS Name: 2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]acetic acid IUPAC Name: 2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]acetic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C16H13N3O3S/c1-19-7-6-17-16(19)15(22)11-8-13(23-9-14(20)21)18-12-5-3-2-4-10(11)12/h2-8H,9H2,1H3,(H,20,21)