(3,3-dimethyl-2-oxidanylidene-butyl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate CAS Name: 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

InChI

InChI=1S/C17H23NO5S/c1-17(2,3)15(19)11-23-16(20)13-7-8-14-12(10-13)6-5-9-18(14)24(4,21)22/h7-8,10H,5-6,9,11H2,1-4H3