2-[7-methyl-2-(3-methylthiophen-2-yl)-4-oxidanylidene-1,3-dihydrophthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[7-methyl-2-(3-methylthiophen-2-yl)-4-oxidanylidene-1,3-dihydrophthalazin-1-yl]ethanoic acid Openeye Name: 2-[7-methyl-2-(3-methyl-2-thienyl)-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid CAS Name: 2-[7-methyl-2-(3-methyl-2-thiophenyl)-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid IUPAC Name: 2-[7-methyl-2-(3-methylthiophen-2-yl)-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-7-methyl-2-(3-methyl-2-thienyl)-1,3-dihydrophthalazin-1-yl]acetic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)NN(C2CC(=O)O)C3=C(C=CS3)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)NN(C2CC(=O)O)C3=C(C=CS3)C

InChI

InChI=1S/C16H16N2O3S/c1-9-3-4-11-12(7-9)13(8-14(19)20)18(17-15(11)21)16-10(2)5-6-22-16/h3-7,13H,8H2,1-2H3,(H,17,21)(H,19,20)