methyl 3-(8-azanylisoquinolin-5-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(8-azanylisoquinolin-5-yl)sulfanylpropanoate Openeye Name: methyl 3-[(8-amino-5-isoquinolyl)sulfanyl]propanoate CAS Name: 3-[(8-amino-5-isoquinolinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(8-aminoisoquinolin-5-yl)sulfanylpropanoate Traditional Name: 3-[(8-amino-5-isoquinolyl)thio]propionic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C2C=CN=CC2=C(C=C1)N

Isomeric SMILES

COC(=O)CCSC1=C2C=CN=CC2=C(C=C1)N

InChI

InChI=1S/C13H14N2O2S/c1-17-13(16)5-7-18-12-3-2-11(14)10-8-15-6-4-9(10)12/h2-4,6,8H,5,7,14H2,1H3