2-(4-methyl-6-propan-2-yl-quinolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-methyl-6-propan-2-yl-quinolin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(6-isopropyl-4-methyl-2-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(4-methyl-6-propan-2-yl-2-quinolinyl)thio]acetic acid IUPAC Name: 2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(6-isopropyl-4-methyl-2-quinolyl)thio]acetic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)C(C)C)SCC(=O)O

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)C(C)C)SCC(=O)O

InChI

InChI=1S/C15H17NO2S/c1-9(2)11-4-5-13-12(7-11)10(3)6-14(16-13)19-8-15(17)18/h4-7,9H,8H2,1-3H3,(H,17,18)