methyl 7-(methylsulfonimidoyl)-9-oxidanylidene-5-pentoxy-xanthene-2-carboxylate

Systemtic Name: methyl 7-(methylsulfonimidoyl)-9-oxidanylidene-5-pentoxy-xanthene-2-carboxylate Openeye Name: methyl 7-(methylsulfonimidoyl)-9-oxo-5-pentoxy-xanthene-2-carboxylate CAS Name: 7-(methylsulfonimidoyl)-9-oxo-5-pentoxy-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 7-(methylsulfonimidoyl)-9-oxo-5-pentoxyxanthene-2-carboxylate Traditional Name: 5-amoxy-9-keto-7-(methylsulfonimidoyl)xanthene-2-carboxylic acid methyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCCOC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H23NO6S/c1-4-5-6-9-27-18-12-14(29(3,22)25)11-16-19(23)15-10-13(21(24)26-2)7-8-17(15)28-20(16)18/h7-8,10-12,22H,4-6,9H2,1-3H3