2-(2-methyl-8-propan-2-yl-quinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(2-methyl-8-propan-2-yl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(8-isopropyl-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(2-methyl-8-propan-2-yl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(2-methyl-8-propan-2-ylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(8-isopropyl-2-methyl-4-quinolyl)thio]acetic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2C(C)C)C(=C1)SCC(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC=C2C(C)C)C(=C1)SCC(=O)O

InChI

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