dimethyl 5-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-phenylphthalazin-1-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H21N3O5S/c1-33-25(31)17-12-18(26(32)34-2)14-19(13-17)27-22(30)15-35-24-21-11-7-6-10-20(21)23(28-29-24)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,27,30)