ethyl 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-[(5,7-dimethoxy-1,3-benzothiazol-2-yl)methyl]-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=CC(=CC(=C4S3)OC)OC

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=CC(=CC(=C4S3)OC)OC

InChI

InChI=1S/C22H21N3O5S/c1-4-30-20(26)11-16-14-7-5-6-8-15(14)22(27)25(24-16)12-19-23-17-9-13(28-2)10-18(29-3)21(17)31-19/h5-10H,4,11-12H2,1-3H3