3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H12N4O4S MolecularWeight: 380.37728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C18H12N4O4S/c23-14(20-18-19-12-7-3-4-8-13(12)27-18)9-22-16(24)11-6-2-1-5-10(11)15(21-22)17(25)26/h1-8H,9H2,(H,25,26)(H,19,20,23)