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

Systemtic Name: [4-oxidanylidene-6-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] pentanoate Openeye Name: [4-oxo-6-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyran-3-yl] pentanoate CAS Name: pentanoic 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] pentanoate Traditional Name: valeric 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S2/c1-3-5-6-14(22)24-12-8-23-10(7-11(12)20)9-25-16-19-18-15(26-16)17-13(21)4-2/h7-8H,3-6,9H2,1-2H3,(H,17,18,21)