2-ethyl-2-[7-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-4-yl]sulfanyloxycarbonyl-butanoic acid

Systemtic Name: 2-ethyl-2-[7-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-4-yl]sulfanyloxycarbonyl-butanoic acid Openeye Name: 2-ethyl-2-[7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-4-yl]sulfanyloxycarbonyl-butanoic acid CAS Name: 2-ethyl-2-[[[7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4-quinazolinyl]thio]oxy-oxomethyl]butanoic acid IUPAC Name: 2-ethyl-2-[7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-4-yl]sulfanyloxycarbonylbutanoic acid Traditional Name: 2-ethyl-2-[[7-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)quinazolin-4-yl]thio]oxycarbonyl-butyric acid Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)O)C(=O)OSC1=NC=NC2=C1C=CC(=C2)C3=NNC(=O)CC3C

Isomeric SMILES

CCC(CC)(C(=O)O)C(=O)OSC1=NC=NC2=C1C=CC(=C2)C3=NNC(=O)CC3C

InChI

InChI=1S/C20H22N4O5S/c1-4-20(5-2,18(26)27)19(28)29-30-17-13-7-6-12(9-14(13)21-10-22-17)16-11(3)8-15(25)23-24-16/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,25)(H,26,27)