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

Systemtic Name: [4-oxidanylidene-6-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] 3-methylbutanoate Openeye Name: [4-oxo-6-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-oxo-6-[[[5-(1-oxopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-keto-6-[[(5-propionamido-1,3,4-thiadiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S2/c1-4-13(21)17-15-18-19-16(26-15)25-8-10-6-11(20)12(7-23-10)24-14(22)5-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,17,18,21)