[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate CAS Name: 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C

InChI

InChI=1S/C21H23NO5S/c1-14-6-8-18(15(2)11-14)20(23)13-27-21(24)17-7-9-19-16(12-17)5-4-10-22(19)28(3,25)26/h6-9,11-12H,4-5,10,13H2,1-3H3