diethyl 2-[1-methyl-2-oxidanylidene-3-(phenylsulfonyl)quinolin-4-yl]propanedioate

Systemtic Name: diethyl 2-[1-methyl-2-oxidanylidene-3-(phenylsulfonyl)quinolin-4-yl]propanedioate Openeye Name: diethyl 2-[3-(benzenesulfonyl)-1-methyl-2-oxo-4-quinolyl]propanedioate CAS Name: 2-[3-(benzenesulfonyl)-1-methyl-2-oxo-4-quinolinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(benzenesulfonyl)-1-methyl-2-oxoquinolin-4-yl]propanedioate Traditional Name: 2-(3-besyl-2-keto-1-methyl-4-quinolyl)malonic acid diethyl ester Formula: C23H23NO7S MolecularWeight: 457.49622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H23NO7S/c1-4-30-22(26)19(23(27)31-5-2)18-16-13-9-10-14-17(16)24(3)21(25)20(18)32(28,29)15-11-7-6-8-12-15/h6-14,19H,4-5H2,1-3H3