2-[3-(1,3-benzothiazol-5-ylmethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-5-ylmethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-5-ylmethyl)-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-5-ylmethyl)-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-5-ylmethyl)-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-5-ylmethyl)-4-keto-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(C=C3)SC=N4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC4=C(C=C3)SC=N4)CC(=O)O

InChI

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