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

Systemtic Name: 2-[[5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-1,3,4-thiadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-1,3,4-thiadiazol-2-yl]thio]acetate Formula: C18H21N2O5S3- MolecularWeight: 441.56474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NN=C(S2)SCC(=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NN=C(S2)SCC(=O)[O-]

InChI

InChI=1S/C18H22N2O5S3/c1-3-5-13-14(7-6-12(11(2)21)16(13)24)25-8-4-9-26-17-19-20-18(28-17)27-10-15(22)23/h6-7,24H,3-5,8-10H2,1-2H3,(H,22,23)/p-1