4-oxidanylidene-3-(thiophen-2-ylmethyl)phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(thiophen-2-ylmethyl)phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-(2-thienylmethyl)phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-(thiophen-2-ylmethyl)-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-(thiophen-2-ylmethyl)phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-(2-thenyl)phthalazine-1-carboxylic acid Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C14H10N2O3S/c17-13-11-6-2-1-5-10(11)12(14(18)19)15-16(13)8-9-4-3-7-20-9/h1-7H,8H2,(H,18,19)