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

Systemtic Name: (1-sulfanylidene-1,3,4-thiadiazol-2-yl) 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-5-sulfanylidene-pentanoate Openeye Name: (1-thioxo-1,3,4-thiadiazol-2-yl) 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-5-thioxo-pentanoate CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-5-sulfanylidenepentanoic acid (1-sulfanylidene-1,3,4-thiadiazol-2-yl) ester IUPAC Name: (1-sulfanylidene-1,3,4-thiadiazol-2-yl) 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-5-sulfanylidenepentanoate Traditional Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-5-thioxo-valeric acid (1-thioxo-1,3,4-thiadiazol-2-yl) ester Formula: C21H26N2O5S3 MolecularWeight: 482.63654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC(CCC=S)C(=O)OC2=NN=CS2=S

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC(CCC=S)C(=O)OC2=NN=CS2=S

InChI

InChI=1S/C21H26N2O5S3/c1-3-6-17-18(10-9-16(14(2)24)19(17)25)27-11-4-7-15(8-5-12-29)20(26)28-21-23-22-13-31(21)30/h9-10,12-13,15,25H,3-8,11H2,1-2H3