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

Systemtic Name: propan-2-yl 2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-ethyl-2-quinolinyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-ethyl-2-quinolyl)thio]acetic acid isopropyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OC(C)C

InChI

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