methyl 2-(5-azanylquinolin-6-yl)sulfanylethanoate

Systemtic Name: methyl 2-(5-azanylquinolin-6-yl)sulfanylethanoate Openeye Name: methyl 2-[(5-amino-6-quinolyl)sulfanyl]acetate CAS Name: 2-[(5-amino-6-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-aminoquinolin-6-yl)sulfanylacetate Traditional Name: 2-[(5-amino-6-quinolyl)thio]acetic acid methyl ester Formula: C12H12N2O2S MolecularWeight: 248.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C2=C(C=C1)N=CC=C2)N

Isomeric SMILES

COC(=O)CSC1=C(C2=C(C=C1)N=CC=C2)N

InChI

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