3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]ethyl]phthalazine-1-carboxylate Formula: C21H15N4O5S- MolecularWeight: 435.4326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C21H16N4O5S/c1-30-13-8-6-12(7-9-13)16-11-31-21(22-16)23-17(26)10-25-19(27)15-5-3-2-4-14(15)18(24-25)20(28)29/h2-9,11H,10H2,1H3,(H,28,29)(H,22,23,26)/p-1