ethyl 2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[(3-cyano-5,7-dimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)thio]acetic acid ethyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC(=CC(=C2C=C1C#N)C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC(=CC(=C2C=C1C#N)C)C

InChI

InChI=1S/C16H16N2O2S/c1-4-20-15(19)9-21-16-12(8-17)7-13-11(3)5-10(2)6-14(13)18-16/h5-7H,4,9H2,1-3H3