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

Systemtic Name: 4-[2-(7,8-dimethoxyphthalazin-1-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-[[2-(7,8-dimethoxyphthalazin-1-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(7,8-dimethoxy-1-phthalazinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(7,8-dimethoxyphthalazin-1-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(7,8-dimethoxyphthalazin-1-yl)thio]acetyl]amino]benzoate Formula: C19H16N3O5S- MolecularWeight: 398.41244

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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)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-26-14-8-5-12-9-20-22-18(16(12)17(14)27-2)28-10-15(23)21-13-6-3-11(4-7-13)19(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)/p-1