methyl 3-(5-azanylquinolin-6-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(5-azanylquinolin-6-yl)sulfanylpropanoate Openeye Name: methyl 3-[(5-amino-6-quinolyl)sulfanyl]propanoate CAS Name: 3-[(5-amino-6-quinolinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-aminoquinolin-6-yl)sulfanylpropanoate Traditional Name: 3-[(5-amino-6-quinolyl)thio]propionic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C2=C(C=C1)N=CC=C2)N

Isomeric SMILES

COC(=O)CCSC1=C(C2=C(C=C1)N=CC=C2)N

InChI

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