4-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanoic acid

Systemtic Name: 4-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanoic acid Openeye Name: 4-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)butanoic acid CAS Name: 4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanoic acid IUPAC Name: 4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanoic acid Traditional Name: 4-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)butyric acid Formula: C15H14N2O3S MolecularWeight: 302.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CCCC(=O)O

Isomeric SMILES

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CCCC(=O)O

InChI

InChI=1S/C15H14N2O3S/c1-9-14-13(10-5-2-3-6-11(10)21-14)15(20)17(16-9)8-4-7-12(18)19/h2-3,5-6H,4,7-8H2,1H3,(H,18,19)