ethyl 4-[2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-morpholinophthalazin-1-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-(4-morpholinyl)-1-phthalazinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-morpholinophthalazin-1-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4

InChI

InChI=1S/C23H24N4O4S/c1-2-31-23(29)16-7-9-17(10-8-16)24-20(28)15-32-22-19-6-4-3-5-18(19)21(25-26-22)27-11-13-30-14-12-27/h3-10H,2,11-15H2,1H3,(H,24,28)