[5-[3-(4-ethanoyl-3-oxidanyl-2-propoxy-phenoxy)propyl]-1-sulfanylidene-1,3,4-thiadiazol-2-yl] 2-sulfanylidenebutanoate

Systemtic Name: [5-[3-(4-ethanoyl-3-oxidanyl-2-propoxy-phenoxy)propyl]-1-sulfanylidene-1,3,4-thiadiazol-2-yl] 2-sulfanylidenebutanoate Openeye Name: [5-[3-(4-acetyl-3-hydroxy-2-propoxy-phenoxy)propyl]-1-thioxo-1,3,4-thiadiazol-2-yl] 2-thioxobutanoate CAS Name: 2-sulfanylidenebutanoic acid [5-[3-(4-acetyl-3-hydroxy-2-propoxyphenoxy)propyl]-1-sulfanylidene-1,3,4-thiadiazol-2-yl] ester IUPAC Name: [5-[3-(4-acetyl-3-hydroxy-2-propoxyphenoxy)propyl]-1-sulfanylidene-1,3,4-thiadiazol-2-yl] 2-sulfanylidenebutanoate Traditional Name: 2-thioxobutyric acid [5-[3-(4-acetyl-3-hydroxy-2-propoxy-phenoxy)propyl]-1-thioxo-1,3,4-thiadiazol-2-yl] ester Formula: C20H24N2O6S3 MolecularWeight: 484.60936

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1O)C(=O)C)OCCCC2=NN=C(S2=S)OC(=O)C(=S)CC

Isomeric SMILES

CCCOC1=C(C=CC(=C1O)C(=O)C)OCCCC2=NN=C(S2=S)OC(=O)C(=S)CC

InChI

InChI=1S/C20H24N2O6S3/c1-4-10-27-18-14(9-8-13(12(3)23)17(18)24)26-11-6-7-16-21-22-20(31(16)30)28-19(25)15(29)5-2/h8-9,24H,4-7,10-11H2,1-3H3