methyl 3-[(5-azanylquinolin-8-yl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(5-azanylquinolin-8-yl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(5-amino-8-quinolyl)methylsulfanyl]propanoate CAS Name: 3-[(5-amino-8-quinolinyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-aminoquinolin-8-yl)methylsulfanyl]propanoate Traditional Name: 3-[(5-amino-8-quinolyl)methylthio]propionic acid methyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=C2C(=C(C=C1)N)C=CC=N2

Isomeric SMILES

COC(=O)CCSCC1=C2C(=C(C=C1)N)C=CC=N2

InChI

InChI=1S/C14H16N2O2S/c1-18-13(17)6-8-19-9-10-4-5-12(15)11-3-2-7-16-14(10)11/h2-5,7H,6,8-9,15H2,1H3