2-(7-methoxy-3-methyl-quinolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(7-methoxy-3-methyl-quinolin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(7-methoxy-3-methyl-2-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(7-methoxy-3-methyl-2-quinolinyl)thio]acetic acid IUPAC Name: 2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(7-methoxy-3-methyl-2-quinolyl)thio]acetic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)O

Isomeric SMILES

CC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)O

InChI

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