ethyl 4,5-dimethoxy-2-[2-(4-methylphthalazin-1-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4,5-dimethoxy-2-[2-(4-methylphthalazin-1-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4,5-dimethoxy-2-[[2-(4-methylphthalazin-1-yl)sulfanylacetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[(4-methyl-1-phthalazinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4,5-dimethoxy-2-[[2-(4-methylphthalazin-1-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-[(4-methylphthalazin-1-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1NC(=O)CSC2=NN=C(C3=CC=CC=C32)C)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1NC(=O)CSC2=NN=C(C3=CC=CC=C32)C)OC)OC

InChI

InChI=1S/C22H23N3O5S/c1-5-30-22(27)16-10-18(28-3)19(29-4)11-17(16)23-20(26)12-31-21-15-9-7-6-8-14(15)13(2)24-25-21/h6-11H,5,12H2,1-4H3,(H,23,26)