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

Systemtic Name: ethyl 2-[3-[2-methyl-5-(trifluoromethyl)-3H-1,3-benzothiazol-2-yl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-methyl-5-(trifluoromethyl)-3H-1,3-benzothiazol-2-yl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[2-methyl-5-(trifluoromethyl)-3H-1,3-benzothiazol-2-yl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-methyl-5-(trifluoromethyl)-3H-1,3-benzothiazol-2-yl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[2-methyl-5-(trifluoromethyl)-3H-1,3-benzothiazol-2-yl]phthalazin-1-yl]acetic acid ethyl ester Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C3(NC4=C(S3)C=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C3(NC4=C(S3)C=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C21H18F3N3O3S/c1-3-30-18(28)11-15-13-6-4-5-7-14(13)19(29)27(26-15)20(2)25-16-10-12(21(22,23)24)8-9-17(16)31-20/h4-10,25H,3,11H2,1-2H3