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

Systemtic Name: 2-[3-[4-(1,3-benzothiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[4-(1,3-benzothiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[4-(1,3-benzothiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[4-(1,3-benzothiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[4-(1,3-benzothiazol-5-ylmethyl)-1,3-benzothiazol-2-yl]-4-keto-phthalazin-1-yl]acetic acid Formula: C25H16N4O3S2 MolecularWeight: 484.54954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)C3=NC4=C(C=CC=C4S3)CC5=CC6=C(C=C5)SC=N6)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C3=NC4=C(C=CC=C4S3)CC5=CC6=C(C=C5)SC=N6)CC(=O)O

InChI

InChI=1S/C25H16N4O3S2/c30-22(31)12-18-16-5-1-2-6-17(16)24(32)29(28-18)25-27-23-15(4-3-7-21(23)34-25)10-14-8-9-20-19(11-14)26-13-33-20/h1-9,11,13H,10,12H2,(H,30,31)