benzimidazol-1-ylsulfonyl 5-cyclopentyl-3-ethoxy-5-methoxy-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: benzimidazol-1-ylsulfonyl 5-cyclopentyl-3-ethoxy-5-methoxy-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate Openeye Name: benzimidazol-1-ylsulfonyl 5-cyclopentyl-3-ethoxy-5-methoxy-6-oxo-cyclohexa-1,3-diene-1-carboxylate CAS Name: 5-cyclopentyl-3-ethoxy-5-methoxy-6-oxo-1-cyclohexa-1,3-dienecarboxylic acid 1-benzimidazolylsulfonyl ester IUPAC Name: benzimidazol-1-ylsulfonyl 5-cyclopentyl-3-ethoxy-5-methoxy-6-oxocyclohexa-1,3-diene-1-carboxylate Traditional Name: 5-cyclopentyl-3-ethoxy-6-keto-5-methoxy-cyclohexa-1,3-diene-1-carboxylic acid benzimidazol-1-ylsulfonyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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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)(C4CCCC4)OC

Isomeric SMILES

CCOC1=CC(C(=O)C(=C1)C(=O)OS(=O)(=O)N2C=NC3=CC=CC=C32)(C4CCCC4)OC

InChI

InChI=1S/C22H24N2O7S/c1-3-30-16-12-17(20(25)22(13-16,29-2)15-8-4-5-9-15)21(26)31-32(27,28)24-14-23-18-10-6-7-11-19(18)24/h6-7,10-15H,3-5,8-9H2,1-2H3