3-methoxy-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethoxy]-3-methoxy-benzonitrile Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O5S/c1-26-20-10-14(12-21)5-8-19(20)27-13-18(23)16-6-7-17-15(11-16)4-3-9-22(17)28(2,24)25/h5-8,10-11H,3-4,9,13H2,1-2H3