methyl 2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-cyano-6-methoxy-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methoxy-2-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-methoxy-2-quinolyl)thio]acetic acid methyl ester Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OC

InChI

InChI=1S/C14H12N2O3S/c1-18-11-3-4-12-9(6-11)5-10(7-15)14(16-12)20-8-13(17)19-2/h3-6H,8H2,1-2H3