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

Systemtic Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic 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] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [6-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C19H16N4O9S2 MolecularWeight: 508.48174

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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(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(=O)NC1=NN=C(S1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H16N4O9S2/c1-9(24)20-18-21-22-19(34-18)33-8-10-4-13(25)16(7-31-10)32-17(26)11-5-14(29-2)15(30-3)6-12(11)23(27)28/h4-7H,8H2,1-3H3,(H,20,21,24)