methyl 4-[2-(7,8-dimethoxyphthalazin-1-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(7,8-dimethoxyphthalazin-1-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(7,8-dimethoxyphthalazin-1-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(7,8-dimethoxy-1-phthalazinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(7,8-dimethoxyphthalazin-1-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(7,8-dimethoxyphthalazin-1-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(N=NC=C2C=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C2=C(N=NC=C2C=C1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C20H19N3O5S/c1-26-15-9-6-13-10-21-23-19(17(13)18(15)27-2)29-11-16(24)22-14-7-4-12(5-8-14)20(25)28-3/h4-10H,11H2,1-3H3,(H,22,24)