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

Systemtic Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic 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] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid [6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C22H20N4O6S2 MolecularWeight: 500.5474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC3=COC(=CC3=O)CSC4=NN=C(S4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC3=COC(=CC3=O)CSC4=NN=C(S4)NC(=O)C

InChI

InChI=1S/C22H20N4O6S2/c1-12-3-5-15(6-4-12)26-9-14(7-19(26)29)20(30)32-18-10-31-16(8-17(18)28)11-33-22-25-24-21(34-22)23-13(2)27/h3-6,8,10,14H,7,9,11H2,1-2H3,(H,23,24,27)