methyl 2-(2-methylquinolin-4-yl)sulfanylethanoate

Systemtic Name: methyl 2-(2-methylquinolin-4-yl)sulfanylethanoate Openeye Name: methyl 2-[(2-methyl-4-quinolyl)sulfanyl]acetate CAS Name: 2-[(2-methyl-4-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-methylquinolin-4-yl)sulfanylacetate Traditional Name: 2-[(2-methyl-4-quinolyl)thio]acetic acid methyl ester Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO2S/c1-9-7-12(17-8-13(15)16-2)10-5-3-4-6-11(10)14-9/h3-7H,8H2,1-2H3