3-(3-ethyl-2-methyl-quinolin-4-yl)sulfanylpropanoic acid

Systemtic Name: 3-(3-ethyl-2-methyl-quinolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-[(3-ethyl-2-methyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(3-ethyl-2-methyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 3-(3-ethyl-2-methylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(3-ethyl-2-methyl-4-quinolyl)thio]propionic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N=C1C)SCCC(=O)O

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N=C1C)SCCC(=O)O

InChI

InChI=1S/C15H17NO2S/c1-3-11-10(2)16-13-7-5-4-6-12(13)15(11)19-9-8-14(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)