3-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(3,6-diketo-1H-pyridazin-2-yl)methyl]benzothiophene-2-carboxylic acid Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN3C(=O)C=CC(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN3C(=O)C=CC(=O)N3

InChI

InChI=1S/C14H10N2O4S/c17-11-5-6-12(18)16(15-11)7-9-8-3-1-2-4-10(8)21-13(9)14(19)20/h1-6H,7H2,(H,15,17)(H,19,20)