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

Systemtic Name: ethyl 2-(8-azanylisoquinolin-5-yl)sulfanylethanoate Openeye Name: ethyl 2-[(8-amino-5-isoquinolyl)sulfanyl]acetate CAS Name: 2-[(8-amino-5-isoquinolinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(8-aminoisoquinolin-5-yl)sulfanylacetate Traditional Name: 2-[(8-amino-5-isoquinolyl)thio]acetic acid ethyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S/c1-2-17-13(16)8-18-12-4-3-11(14)10-7-15-6-5-9(10)12/h3-7H,2,8,14H2,1H3