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

Systemtic Name: 3-ethoxy-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethoxy]benzonitrile Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O5S/c1-3-27-21-11-15(13-22)6-9-20(21)28-14-19(24)17-7-8-18-16(12-17)5-4-10-23(18)29(2,25)26/h6-9,11-12H,3-5,10,14H2,1-2H3