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

Systemtic Name: ethyl 2-[3-[(5-bromanyl-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=C(S3)C=CC(=C4)Br

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=C(S3)C=CC(=C4)Br

InChI

InChI=1S/C20H16BrN3O3S/c1-2-27-19(25)10-15-13-5-3-4-6-14(13)20(26)24(23-15)11-18-22-16-9-12(21)7-8-17(16)28-18/h3-9H,2,10-11H2,1H3