(1-sulfanylidene-1,3,4-thiadiazol-2-yl) 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-6-sulfanylidene-hexanoate

Systemtic Name: (1-sulfanylidene-1,3,4-thiadiazol-2-yl) 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-6-sulfanylidene-hexanoate Openeye Name: (1-thioxo-1,3,4-thiadiazol-2-yl) 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-6-thioxo-hexanoate CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-6-sulfanylidenehexanoic 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]-6-sulfanylidenehexanoate Traditional Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-6-thioxo-hexanoic acid (1-thioxo-1,3,4-thiadiazol-2-yl) ester Formula: C22H28N2O5S3 MolecularWeight: 496.66312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S3/c1-3-7-18-19(11-10-17(15(2)25)20(18)26)28-12-6-9-16(8-4-5-13-30)21(27)29-22-24-23-14-32(22)31/h10-11,13-14,16,26H,3-9,12H2,1-2H3