6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-3-ethyl-2-sulfanylidene-3-(1-sulfanylidene-1,3,4-thiadiazol-2-yl)hexanoic acid

Systemtic Name: 6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-3-ethyl-2-sulfanylidene-3-(1-sulfanylidene-1,3,4-thiadiazol-2-yl)hexanoic acid Openeye Name: 6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-3-ethyl-2-thioxo-3-(1-thioxo-1,3,4-thiadiazol-2-yl)hexanoic acid CAS Name: 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-3-ethyl-2-sulfanylidene-3-(1-sulfanylidene-1,3,4-thiadiazol-2-yl)hexanoic acid IUPAC Name: 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-3-ethyl-2-sulfanylidene-3-(1-sulfanylidene-1,3,4-thiadiazol-2-yl)hexanoic acid Traditional Name: 6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-3-ethyl-2-thioxo-3-(1-thioxo-1,3,4-thiadiazol-2-yl)hexanoic acid Formula: C21H26N2O5S3 MolecularWeight: 482.63654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC(CC)(C2=NN=CS2=S)C(=S)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC(CC)(C2=NN=CS2=S)C(=S)C(=O)O

InChI

InChI=1S/C21H26N2O5S3/c1-4-7-15-16(9-8-14(13(3)24)17(15)25)28-11-6-10-21(5-2,18(29)19(26)27)20-23-22-12-31(20)30/h8-9,12,25H,4-7,10-11H2,1-3H3,(H,26,27)