(phenylmethyl) 5-(ethylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) 5-(ethylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate Openeye Name: benzyl 5-(ethylsulfonylamino)-2,6-dimethyl-benzofuran-3-carboxylate CAS Name: 5-(ethylsulfonylamino)-2,6-dimethyl-3-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(ethylsulfonylamino)-2,6-dimethyl-1-benzofuran-3-carboxylate Traditional Name: 5-(esylamino)-2,6-dimethyl-benzofuran-3-carboxylic acid benzyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCS(=O)(=O)NC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C20H21NO5S/c1-4-27(23,24)21-17-11-16-18(10-13(17)2)26-14(3)19(16)20(22)25-12-15-8-6-5-7-9-15/h5-11,21H,4,12H2,1-3H3