4-[2-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]benzoate

Systemtic Name: 4-[2-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[5-(1-oxopropylamino)-1,3,4-thiadiazol-2-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[(5-propionamido-1,3,4-thiadiazol-2-yl)thio]ethoxy]benzoate Formula: C14H14N3O4S2- MolecularWeight: 352.40866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NN=C(S1)SCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCC(=O)NC1=NN=C(S1)SCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H15N3O4S2/c1-2-11(18)15-13-16-17-14(23-13)22-8-7-21-10-5-3-9(4-6-10)12(19)20/h3-6H,2,7-8H2,1H3,(H,19,20)(H,15,16,18)/p-1