[6-[[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] propanoate

Systemtic Name: [6-[[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] propanoate Openeye Name: [6-[[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-pyran-3-yl] propanoate CAS Name: propanoic acid [6-[[[5-[(2-ethyl-1-oxobutyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxopyran-3-yl] propanoate Traditional Name: propionic acid [6-[[[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-keto-pyran-3-yl] ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=NN=C(S1)SCC2=CC(=O)C(=CO2)OC(=O)CC

Isomeric SMILES

CCC(CC)C(=O)NC1=NN=C(S1)SCC2=CC(=O)C(=CO2)OC(=O)CC

InChI

InChI=1S/C17H21N3O5S2/c1-4-10(5-2)15(23)18-16-19-20-17(27-16)26-9-11-7-12(21)13(8-24-11)25-14(22)6-3/h7-8,10H,4-6,9H2,1-3H3,(H,18,19,23)