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

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[4-(4-methylphenyl)phthalazin-1-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-[4-(p-tolyl)phthalazin-1-yl]sulfanylacetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[[4-(4-methylphenyl)-1-phthalazinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-[4-(4-methylphenyl)phthalazin-1-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-[[4-(p-tolyl)phthalazin-1-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC(=C(C=C4C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC(=C(C=C4C(=O)OC)OC)OC

InChI

InChI=1S/C27H25N3O5S/c1-16-9-11-17(12-10-16)25-18-7-5-6-8-19(18)26(30-29-25)36-15-24(31)28-21-14-23(34-3)22(33-2)13-20(21)27(32)35-4/h5-14H,15H2,1-4H3,(H,28,31)