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

Systemtic Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-chloranylbutanoate Openeye Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic 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] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C14H14ClN3O5S2 MolecularWeight: 403.86106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O5S2/c1-8(19)16-13-17-18-14(25-13)24-7-9-5-10(20)11(6-22-9)23-12(21)3-2-4-15/h5-6H,2-4,7H2,1H3,(H,16,17,19)