[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7S/c1-28-20-9-6-15(11-21(20)29-2)12-22(25)30-14-19(24)17-7-8-18-16(13-17)5-4-10-23(18)31(3,26)27/h6-9,11,13H,4-5,10,12,14H2,1-3H3