methyl 2-(5-azanylquinolin-8-yl)sulfanylethanoate

Systemtic Name: methyl 2-(5-azanylquinolin-8-yl)sulfanylethanoate Openeye Name: methyl 2-[(5-amino-8-quinolyl)sulfanyl]acetate CAS Name: 2-[(5-amino-8-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-aminoquinolin-8-yl)sulfanylacetate Traditional Name: 2-[(5-amino-8-quinolyl)thio]acetic acid methyl ester Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C2C(=C(C=C1)N)C=CC=N2

Isomeric SMILES

COC(=O)CSC1=C2C(=C(C=C1)N)C=CC=N2

InChI

InChI=1S/C12H12N2O2S/c1-16-11(15)7-17-10-5-4-9(13)8-3-2-6-14-12(8)10/h2-6H,7,13H2,1H3