2-[[5-[3-(4-ethanoyl-3-oxidanyl-2-propoxy-phenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[3-(4-ethanoyl-3-oxidanyl-2-propoxy-phenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[3-(4-acetyl-3-hydroxy-2-propoxy-phenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[3-(4-acetyl-3-hydroxy-2-propoxyphenoxy)propylthio]-1,3,4-thiadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-[3-(4-acetyl-3-hydroxy-2-propoxyphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[3-(4-acetyl-3-hydroxy-2-propoxy-phenoxy)propylthio]-1,3,4-thiadiazol-2-yl]thio]acetate Formula: C18H21N2O6S3- MolecularWeight: 457.56414

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NN=C(S2)SCC(=O)[O-]

Isomeric SMILES

CCCOC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NN=C(S2)SCC(=O)[O-]

InChI

InChI=1S/C18H22N2O6S3/c1-3-7-26-16-13(6-5-12(11(2)21)15(16)24)25-8-4-9-27-17-19-20-18(29-17)28-10-14(22)23/h5-6,24H,3-4,7-10H2,1-2H3,(H,22,23)/p-1