2-[6-[[5,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-3,4-dimethyl-5-oxidanylidene-1,6-dihydropyridazin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[[5,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-3,4-dimethyl-5-oxidanylidene-1,6-dihydropyridazin-2-yl]ethanoic acid Openeye Name: 2-[6-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dimethyl-5-oxo-1,6-dihydropyridazin-2-yl]acetic acid CAS Name: 2-[6-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dimethyl-5-oxo-1,6-dihydropyridazin-2-yl]acetic acid IUPAC Name: 2-[6-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dimethyl-5-oxo-1,6-dihydropyridazin-2-yl]acetic acid Traditional Name: 2-[6-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-5-keto-3,4-dimethyl-1,6-dihydropyridazin-2-yl]acetic acid Formula: C16H15F2N3O3S MolecularWeight: 367.370406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(NC(C1=O)CC2=NC3=CC(=CC(=C3S2)F)F)CC(=O)O)C

Isomeric SMILES

CC1=C(N(NC(C1=O)CC2=NC3=CC(=CC(=C3S2)F)F)CC(=O)O)C

InChI

InChI=1S/C16H15F2N3O3S/c1-7-8(2)21(6-14(22)23)20-11(15(7)24)5-13-19-12-4-9(17)3-10(18)16(12)25-13/h3-4,11,20H,5-6H2,1-2H3,(H,22,23)