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

Systemtic Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] pentanoate Openeye Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] pentanoate CAS Name: pentanoic 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] pentanoate Traditional Name: valeric acid [6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C15H17N3O5S2 MolecularWeight: 383.44258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S2/c1-3-4-5-13(21)23-12-7-22-10(6-11(12)20)8-24-15-18-17-14(25-15)16-9(2)19/h6-7H,3-5,8H2,1-2H3,(H,16,17,19)