2-[4-[(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanylmethyl]phenyl]ethanoate

Systemtic Name: 2-[4-[(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanylmethyl]phenyl]ethanoate Openeye Name: 2-[4-[(3-cyano-6,7-dimethoxy-2-quinolyl)sulfanylmethyl]phenyl]acetate CAS Name: 2-[4-[[(3-cyano-6,7-dimethoxy-2-quinolinyl)thio]methyl]phenyl]acetate IUPAC Name: 2-[4-[(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanylmethyl]phenyl]acetate Traditional Name: 2-[4-[[(3-cyano-6,7-dimethoxy-2-quinolyl)thio]methyl]phenyl]acetate Formula: C21H17N2O4S- MolecularWeight: 393.43568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC3=CC=C(C=C3)CC(=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC3=CC=C(C=C3)CC(=O)[O-])C#N)OC

InChI

InChI=1S/C21H18N2O4S/c1-26-18-9-15-8-16(11-22)21(23-17(15)10-19(18)27-2)28-12-14-5-3-13(4-6-14)7-20(24)25/h3-6,8-10H,7,12H2,1-2H3,(H,24,25)/p-1