2-(6-propan-2-ylquinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-propan-2-ylquinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(6-isopropyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(6-propan-2-yl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(6-propan-2-ylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6-isopropyl-4-quinolyl)thio]acetic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=CN=C2C=C1)SCC(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(C=CN=C2C=C1)SCC(=O)O

InChI

InChI=1S/C14H15NO2S/c1-9(2)10-3-4-12-11(7-10)13(5-6-15-12)18-8-14(16)17/h3-7,9H,8H2,1-2H3,(H,16,17)