benzimidazol-1-ylsulfonyl 3-ethoxy-5-methoxy-5-(oxan-4-yl)-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: benzimidazol-1-ylsulfonyl 3-ethoxy-5-methoxy-5-(oxan-4-yl)-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate Openeye Name: benzimidazol-1-ylsulfonyl 3-ethoxy-5-methoxy-6-oxo-5-tetrahydropyran-4-yl-cyclohexa-1,3-diene-1-carboxylate CAS Name: 3-ethoxy-5-methoxy-5-(4-oxanyl)-6-oxo-1-cyclohexa-1,3-dienecarboxylic acid 1-benzimidazolylsulfonyl ester IUPAC Name: benzimidazol-1-ylsulfonyl 3-ethoxy-5-methoxy-5-(oxan-4-yl)-6-oxocyclohexa-1,3-diene-1-carboxylate Traditional Name: 3-ethoxy-6-keto-5-methoxy-5-tetrahydropyran-4-yl-cyclohexa-1,3-diene-1-carboxylic acid benzimidazol-1-ylsulfonyl ester Formula: C22H24N2O8S MolecularWeight: 476.49956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(C(=O)C(=C1)C(=O)OS(=O)(=O)N2C=NC3=CC=CC=C32)(C4CCOCC4)OC

Isomeric SMILES

CCOC1=CC(C(=O)C(=C1)C(=O)OS(=O)(=O)N2C=NC3=CC=CC=C32)(C4CCOCC4)OC

InChI

InChI=1S/C22H24N2O8S/c1-3-31-16-12-17(20(25)22(13-16,29-2)15-8-10-30-11-9-15)21(26)32-33(27,28)24-14-23-18-6-4-5-7-19(18)24/h4-7,12-15H,3,8-11H2,1-2H3