1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O3S/c1-12(2)23-19(24)14-8-4-3-7-13(14)18(22-23)20(25)26-11-17-21-15-9-5-6-10-16(15)27-17/h3-10,12H,11H2,1-2H3