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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S2/c1-8(2)4-13(21)23-12-6-22-10(5-11(12)20)7-24-15-18-17-14(25-15)16-9(3)19/h5-6,8H,4,7H2,1-3H3,(H,16,17,19)