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

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CSC3=NC4=CC=CC=C4S3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CSC3=NC4=CC=CC=C4S3)CC(=O)O

InChI

InChI=1S/C18H13N3O3S2/c22-16(23)9-14-11-5-1-2-6-12(11)17(24)21(20-14)10-25-18-19-13-7-3-4-8-15(13)26-18/h1-8H,9-10H2,(H,22,23)