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

Systemtic Name: methyl 4,5-dimethoxy-2-[2-(4-methylphthalazin-1-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SCC(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SCC(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C21H21N3O5S/c1-12-13-7-5-6-8-14(13)20(24-23-12)30-11-19(25)22-16-10-18(28-3)17(27-2)9-15(16)21(26)29-4/h5-10H,11H2,1-4H3,(H,22,25)