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

Systemtic Name: [6-[[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] ethanoate Openeye Name: [6-[[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-pyran-3-yl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [6-[[[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-keto-pyran-3-yl] ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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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)C

Isomeric SMILES

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

InChI

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