3-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(1,3-benzothiazol-2-ylmethyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylmethyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(1,3-benzothiazol-2-ylmethyl)-4-keto-phthalazine-1-carboxylic acid Formula: C17H11N3O3S MolecularWeight: 337.35254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C17H11N3O3S/c21-16-11-6-2-1-5-10(11)15(17(22)23)19-20(16)9-14-18-12-7-3-4-8-13(12)24-14/h1-8H,9H2,(H,22,23)