3-(2-methylquinolin-4-yl)sulfanylpropanoate

Systemtic Name: 3-(2-methylquinolin-4-yl)sulfanylpropanoate Openeye Name: 3-[(2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: 3-[(2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: 3-(2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: 3-[(2-methyl-4-quinolyl)thio]propionate Formula: C13H12NO2S- MolecularWeight: 246.30488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCCC(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SCCC(=O)[O-]

InChI

InChI=1S/C13H13NO2S/c1-9-8-12(17-7-6-13(15)16)10-4-2-3-5-11(10)14-9/h2-5,8H,6-7H2,1H3,(H,15,16)/p-1