O2-[6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] O1-methyl benzene-1,2-dicarboxylate

Systemtic Name: O2-[6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] O1-methyl benzene-1,2-dicarboxylate Openeye Name: O2-[6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] O1-methyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-[6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-oxo-3-pyranyl] ester O1-methyl ester IUPAC Name: 2-O-[6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1-O-methyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-[6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester O1-methyl ester Formula: C19H15N3O7S2 MolecularWeight: 461.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(S1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(=O)NC1=NN=C(S1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H15N3O7S2/c1-10(23)20-18-21-22-19(31-18)30-9-11-7-14(24)15(8-28-11)29-17(26)13-6-4-3-5-12(13)16(25)27-2/h3-8H,9H2,1-2H3,(H,20,21,23)