2-[[5-[(3,4-dimethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(3,4-dimethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]thio]acetate Formula: C12H12N3O4S2- MolecularWeight: 326.37138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)[O-])OC

InChI

InChI=1S/C12H13N3O4S2/c1-18-8-4-3-7(5-9(8)19-2)13-11-14-15-12(21-11)20-6-10(16)17/h3-5H,6H2,1-2H3,(H,13,14)(H,16,17)/p-1