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

Systemtic Name: 4-[3-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propoxy]benzoate CAS Name: 4-[3-[[5-(1-oxopropylamino)-1,3,4-thiadiazol-2-yl]thio]propoxy]benzoate IUPAC Name: 4-[3-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(5-propionamido-1,3,4-thiadiazol-2-yl)thio]propoxy]benzoate Formula: C15H16N3O4S2- MolecularWeight: 366.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NN=C(S1)SCCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCC(=O)NC1=NN=C(S1)SCCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H17N3O4S2/c1-2-12(19)16-14-17-18-15(24-14)23-9-3-8-22-11-6-4-10(5-7-11)13(20)21/h4-7H,2-3,8-9H2,1H3,(H,20,21)(H,16,17,19)/p-1