2-[[5-(2-phenoxyethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(2-phenoxyethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(2-phenoxyacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(1-oxo-2-phenoxyethyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-phenoxyacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-phenoxyacetyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C12H11N3O4S2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)SCC(=O)O

InChI

InChI=1S/C12H11N3O4S2/c16-9(6-19-8-4-2-1-3-5-8)13-11-14-15-12(21-11)20-7-10(17)18/h1-5H,6-7H2,(H,17,18)(H,13,14,16)