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

Systemtic Name: 6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-sulfanylidene-3-(1-sulfanylidene-1,3,4-thiadiazol-2-yl)hexanoic acid Openeye Name: 6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-thioxo-3-(1-thioxo-1,3,4-thiadiazol-2-yl)hexanoic acid CAS Name: 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-sulfanylidene-3-(1-sulfanylidene-1,3,4-thiadiazol-2-yl)hexanoic acid IUPAC Name: 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-sulfanylidene-3-(1-sulfanylidene-1,3,4-thiadiazol-2-yl)hexanoic acid Traditional Name: 6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-thioxo-3-(1-thioxo-1,3,4-thiadiazol-2-yl)hexanoic acid Formula: C19H22N2O5S3 MolecularWeight: 454.58338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S3/c1-3-5-13-15(8-7-12(11(2)22)16(13)23)26-9-4-6-14(17(27)19(24)25)18-21-20-10-29(18)28/h7-8,10,14,23H,3-6,9H2,1-2H3,(H,24,25)