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

Systemtic Name: (1-sulfanylidene-1,3,4-thiadiazol-2-yl) 5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-methanethioyl-pentanoate Openeye Name: (1-thioxo-1,3,4-thiadiazol-2-yl) 5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-methanethioyl-pentanoate CAS Name: 5-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-methanethioylpentanoic acid (1-sulfanylidene-1,3,4-thiadiazol-2-yl) ester IUPAC Name: (1-sulfanylidene-1,3,4-thiadiazol-2-yl) 5-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-methanethioylpentanoate Traditional Name: 5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-thioformyl-valeric acid (1-thioxo-1,3,4-thiadiazol-2-yl) ester Formula: C19H22N2O5S3 MolecularWeight: 454.58338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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