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

Systemtic Name: S-[5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl] ethanethioate Openeye Name: S-[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-1,3,4-thiadiazol-2-yl] ester IUPAC Name: S-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-1,3,4-thiadiazol-2-yl] ester Formula: C18H22N2O4S3 MolecularWeight: 426.57328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NN=C(S2)SC(=O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NN=C(S2)SC(=O)C

InChI

InChI=1S/C18H22N2O4S3/c1-4-6-14-15(8-7-13(11(2)21)16(14)23)24-9-5-10-25-17-19-20-18(27-17)26-12(3)22/h7-8,23H,4-6,9-10H2,1-3H3