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

Systemtic Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3-(4-methoxyphenyl)propanoate Openeye Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic 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-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C20H19N3O6S2 MolecularWeight: 461.51136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(S1)SCC2=CC(=O)C(=CO2)OC(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC1=NN=C(S1)SCC2=CC(=O)C(=CO2)OC(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19N3O6S2/c1-12(24)21-19-22-23-20(31-19)30-11-15-9-16(25)17(10-28-15)29-18(26)8-5-13-3-6-14(27-2)7-4-13/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,21,22,24)