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

Systemtic Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] butanoate Openeye Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C14H15N3O5S2 MolecularWeight: 369.416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S2/c1-3-4-12(20)22-11-6-21-9(5-10(11)19)7-23-14-17-16-13(24-14)15-8(2)18/h5-6H,3-4,7H2,1-2H3,(H,15,16,18)