2-(ethylsulfanylmethyl)-3-quinolin-4-yl-propanoic acid

Systemtic Name: 2-(ethylsulfanylmethyl)-3-quinolin-4-yl-propanoic acid Openeye Name: 2-(ethylsulfanylmethyl)-3-(4-quinolyl)propanoic acid CAS Name: 2-[(ethylthio)methyl]-3-(4-quinolinyl)propanoic acid IUPAC Name: 2-(ethylsulfanylmethyl)-3-quinolin-4-ylpropanoic acid Traditional Name: 2-[(ethylthio)methyl]-3-(4-quinolyl)propionic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(CC1=CC=NC2=CC=CC=C12)C(=O)O

Isomeric SMILES

CCSCC(CC1=CC=NC2=CC=CC=C12)C(=O)O

InChI

InChI=1S/C15H17NO2S/c1-2-19-10-12(15(17)18)9-11-7-8-16-14-6-4-3-5-13(11)14/h3-8,12H,2,9-10H2,1H3,(H,17,18)