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

Systemtic Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] propanoate Openeye Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C13H13N3O5S2 MolecularWeight: 355.38942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5S2/c1-3-11(19)21-10-5-20-8(4-9(10)18)6-22-13-16-15-12(23-13)14-7(2)17/h4-5H,3,6H2,1-2H3,(H,14,15,17)