2-[4-[(3-cyano-6-ethoxy-quinolin-2-yl)sulfanylmethyl]phenyl]ethanoate

Systemtic Name: 2-[4-[(3-cyano-6-ethoxy-quinolin-2-yl)sulfanylmethyl]phenyl]ethanoate Openeye Name: 2-[4-[(3-cyano-6-ethoxy-2-quinolyl)sulfanylmethyl]phenyl]acetate CAS Name: 2-[4-[[(3-cyano-6-ethoxy-2-quinolinyl)thio]methyl]phenyl]acetate IUPAC Name: 2-[4-[(3-cyano-6-ethoxyquinolin-2-yl)sulfanylmethyl]phenyl]acetate Traditional Name: 2-[4-[[(3-cyano-6-ethoxy-2-quinolyl)thio]methyl]phenyl]acetate Formula: C21H17N2O3S- MolecularWeight: 377.43628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=CC=C(C=C3)CC(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=CC=C(C=C3)CC(=O)[O-]

InChI

InChI=1S/C21H18N2O3S/c1-2-26-18-7-8-19-16(11-18)10-17(12-22)21(23-19)27-13-15-5-3-14(4-6-15)9-20(24)25/h3-8,10-11H,2,9,13H2,1H3,(H,24,25)/p-1