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

Systemtic Name: methyl 2-(8-azanylisoquinolin-5-yl)sulfanylethanoate Openeye Name: methyl 2-[(8-amino-5-isoquinolyl)sulfanyl]acetate CAS Name: 2-[(8-amino-5-isoquinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(8-aminoisoquinolin-5-yl)sulfanylacetate Traditional Name: 2-[(8-amino-5-isoquinolyl)thio]acetic acid methyl ester Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C2C=CN=CC2=C(C=C1)N

Isomeric SMILES

COC(=O)CSC1=C2C=CN=CC2=C(C=C1)N

InChI

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