2-[3-(1-benzothiophen-2-ylmethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1-benzothiophen-2-ylmethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzothiophen-2-ylmethyl)-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-(1-benzothiophen-2-ylmethyl)-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(1-benzothiophen-2-ylmethyl)-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(benzothiophen-2-ylmethyl)-4-keto-phthalazin-1-yl]acetic acid Formula: C19H14N2O3S MolecularWeight: 350.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

InChI

InChI=1S/C19H14N2O3S/c22-18(23)10-16-14-6-2-3-7-15(14)19(24)21(20-16)11-13-9-12-5-1-4-8-17(12)25-13/h1-9H,10-11H2,(H,22,23)