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

Systemtic Name: propan-2-yl 2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-[(3-cyano-5,7-dimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)thio]acetic acid isopropyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)OC(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)OC(C)C)C#N)C

InChI

InChI=1S/C17H18N2O2S/c1-10(2)21-16(20)9-22-17-13(8-18)7-14-12(4)5-11(3)6-15(14)19-17/h5-7,10H,9H2,1-4H3