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

Systemtic Name: diethyl 2-[1-methyl-2-oxidanylidene-3-(phenylsulfinyl)quinolin-4-yl]-2-oxidanyl-propanedioate Openeye Name: diethyl 2-[3-(benzenesulfinyl)-1-methyl-2-oxo-4-quinolyl]-2-hydroxy-propanedioate CAS Name: 2-[3-(benzenesulfinyl)-1-methyl-2-oxo-4-quinolinyl]-2-hydroxypropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(benzenesulfinyl)-1-methyl-2-oxoquinolin-4-yl]-2-hydroxypropanedioate Traditional Name: 2-[3-(benzenesulfinyl)-2-keto-1-methyl-4-quinolyl]-2-hydroxy-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)C3=CC=CC=C3)(C(=O)OCC)O

Isomeric SMILES

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

InChI

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