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

Systemtic Name: ethyl 2-[3-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[[4-(4-cyanophenyl)thiazol-2-yl]methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[[4-(4-cyanophenyl)-2-thiazolyl]methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-[[4-(4-cyanophenyl)thiazol-2-yl]methyl]-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H18N4O3S/c1-2-30-22(28)11-19-17-5-3-4-6-18(17)23(29)27(26-19)13-21-25-20(14-31-21)16-9-7-15(12-24)8-10-16/h3-10,14H,2,11,13H2,1H3