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

Systemtic Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3-chloranylpropanoate Openeye Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3-chloropropanoate CAS Name: 3-chloropropanoic 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] 3-chloropropanoate Traditional Name: 3-chloropropionic acid [6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C13H12ClN3O5S2 MolecularWeight: 389.83448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O5S2/c1-7(18)15-12-16-17-13(24-12)23-6-8-4-9(19)10(5-21-8)22-11(20)2-3-14/h4-5H,2-3,6H2,1H3,(H,15,16,18)