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

Systemtic Name: 2-[4-[(3-cyano-6-propan-2-yl-quinolin-2-yl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-cyano-6-isopropyl-2-quinolyl)sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[(3-cyano-6-propan-2-yl-2-quinolinyl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[(3-cyano-6-isopropyl-2-quinolyl)thio]methyl]phenyl]acetic acid Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C22H20N2O2S/c1-14(2)17-7-8-20-18(10-17)11-19(12-23)22(24-20)27-13-16-5-3-15(4-6-16)9-21(25)26/h3-8,10-11,14H,9,13H2,1-2H3,(H,25,26)