propan-2-yl 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanylethanoate

Systemtic Name: propan-2-yl 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)thio]acetic acid isopropyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC(C)C)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC(C)C)C#N

InChI

InChI=1S/C17H18N2O3S/c1-4-21-14-6-5-12-7-13(9-18)17(19-15(12)8-14)23-10-16(20)22-11(2)3/h5-8,11H,4,10H2,1-3H3