2-[4-oxidanylidene-3-(thieno[2,3-b]pyridin-2-ylmethyl)phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-(thieno[2,3-b]pyridin-2-ylmethyl)phthalazin-1-yl]ethanoic acid Openeye Name: 2-[4-oxo-3-(thieno[2,3-b]pyridin-2-ylmethyl)phthalazin-1-yl]acetic acid CAS Name: 2-[4-oxo-3-(2-thieno[2,3-b]pyridinylmethyl)-1-phthalazinyl]acetic acid IUPAC Name: 2-[4-oxo-3-(thieno[2,3-b]pyridin-2-ylmethyl)phthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-(thieno[2,3-b]pyridin-2-ylmethyl)phthalazin-1-yl]acetic acid Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC4=C(S3)N=CC=C4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC4=C(S3)N=CC=C4)CC(=O)O

InChI

InChI=1S/C18H13N3O3S/c22-16(23)9-15-13-5-1-2-6-14(13)18(24)21(20-15)10-12-8-11-4-3-7-19-17(11)25-12/h1-8H,9-10H2,(H,22,23)