ethyl 2-[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(4-tert-butylthiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[(4-tert-butyl-2-thiazolyl)methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-[(4-tert-butylthiazol-2-yl)methyl]-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C(C)(C)C

InChI

InChI=1S/C20H23N3O3S/c1-5-26-18(24)10-15-13-8-6-7-9-14(13)19(25)23(22-15)11-17-21-16(12-27-17)20(2,3)4/h6-9,12H,5,10-11H2,1-4H3