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

Systemtic Name: 4-[2-(7,8-dimethoxyphthalazin-1-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(7,8-dimethoxyphthalazin-1-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(7,8-dimethoxy-1-phthalazinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(7,8-dimethoxyphthalazin-1-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(7,8-dimethoxyphthalazin-1-yl)thio]acetyl]amino]benzoic acid Formula: C19H17N3O5S MolecularWeight: 399.42038

Click to see the large picture

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)