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

Systemtic Name: diethyl 2-oxidanyl-2-[2-oxidanylidene-1-phenyl-3-(phenylsulfinyl)quinolin-4-yl]propanedioate Openeye Name: diethyl 2-[3-(benzenesulfinyl)-2-oxo-1-phenyl-4-quinolyl]-2-hydroxy-propanedioate CAS Name: 2-[3-(benzenesulfinyl)-2-oxo-1-phenyl-4-quinolinyl]-2-hydroxypropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(benzenesulfinyl)-2-oxo-1-phenylquinolin-4-yl]-2-hydroxypropanedioate Traditional Name: 2-[3-(benzenesulfinyl)-2-keto-1-phenyl-4-quinolyl]-2-hydroxy-malonic acid diethyl ester Formula: C28H25NO7S MolecularWeight: 519.5656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)S(=O)C4=CC=CC=C4)(C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)S(=O)C4=CC=CC=C4)(C(=O)OCC)O

InChI

InChI=1S/C28H25NO7S/c1-3-35-26(31)28(33,27(32)36-4-2)23-21-17-11-12-18-22(21)29(19-13-7-5-8-14-19)25(30)24(23)37(34)20-15-9-6-10-16-20/h5-18,33H,3-4H2,1-2H3