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

Systemtic Name: [4-oxidanylidene-6-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] 2-ethylbutanoate Openeye Name: [4-oxo-6-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic 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] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [4-keto-6-[[(5-propionamido-1,3,4-thiadiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=COC(=CC1=O)CSC2=NN=C(S2)NC(=O)CC

Isomeric SMILES

CCC(CC)C(=O)OC1=COC(=CC1=O)CSC2=NN=C(S2)NC(=O)CC

InChI

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