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

Systemtic Name: 2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(6-methoxy-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(6-methoxy-2-methyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6-methoxy-2-methyl-4-quinolyl)thio]acetic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)O

InChI

InChI=1S/C13H13NO3S/c1-8-5-12(18-7-13(15)16)10-6-9(17-2)3-4-11(10)14-8/h3-6H,7H2,1-2H3,(H,15,16)