[5,7-diethyl-2-oxidanylidene-3-(phenylsulfinyl)-1,6-naphthyridin-1-yl]methyl benzoate

Systemtic Name: [5,7-diethyl-2-oxidanylidene-3-(phenylsulfinyl)-1,6-naphthyridin-1-yl]methyl benzoate Openeye Name: [3-(benzenesulfinyl)-5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl]methyl benzoate CAS Name: benzoic acid [3-(benzenesulfinyl)-5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl]methyl ester IUPAC Name: [3-(benzenesulfinyl)-5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl]methyl benzoate Traditional Name: benzoic acid [3-(benzenesulfinyl)-5,7-diethyl-2-keto-1,6-naphthyridin-1-yl]methyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C=C(C(=O)N(C2=C1)COC(=O)C3=CC=CC=C3)S(=O)C4=CC=CC=C4)CC

Isomeric SMILES

CCC1=NC(=C2C=C(C(=O)N(C2=C1)COC(=O)C3=CC=CC=C3)S(=O)C4=CC=CC=C4)CC

InChI

InChI=1S/C26H24N2O4S/c1-3-19-15-23-21(22(4-2)27-19)16-24(33(31)20-13-9-6-10-14-20)25(29)28(23)17-32-26(30)18-11-7-5-8-12-18/h5-16H,3-4,17H2,1-2H3