ethyl 2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-cyano-6-ethoxy-quinolin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[(3-cyano-6-ethoxy-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-ethoxy-2-quinolinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-ethoxy-2-quinolyl)thio]acetic acid ethyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OCC

InChI

InChI=1S/C16H16N2O3S/c1-3-20-13-5-6-14-11(8-13)7-12(9-17)16(18-14)22-10-15(19)21-4-2/h5-8H,3-4,10H2,1-2H3