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

Systemtic Name: 2-[4-[(3-cyano-6-ethoxy-quinolin-2-yl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-cyano-6-ethoxy-2-quinolyl)sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[(3-cyano-6-ethoxy-2-quinolinyl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(3-cyano-6-ethoxyquinolin-2-yl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[(3-cyano-6-ethoxy-2-quinolyl)thio]methyl]phenyl]acetic acid Formula: C21H18N2O3S MolecularWeight: 378.44422

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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)