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

Systemtic Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-ethylbutanoate Openeye Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [6-[[(5-acetamido-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)OC1=COC(=CC1=O)CSC2=NN=C(S2)NC(=O)C

Isomeric SMILES

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

InChI

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