[4-(1,3-benzothiazol-2-yl)phenyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [4-(1,3-benzothiazol-2-yl)phenyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [4-(1,3-benzothiazol-2-yl)phenyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [4-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [4-(1,3-benzothiazol-2-yl)phenyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [4-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C22H13N3O3S MolecularWeight: 399.42192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H13N3O3S/c26-20-16-6-2-1-5-15(16)19(24-25-20)22(27)28-14-11-9-13(10-12-14)21-23-17-7-3-4-8-18(17)29-21/h1-12H,(H,25,26)