ethyl 7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-(4-mesylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C)OCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C)OCC1

InChI

InChI=1S/C20H20O5S/c1-3-24-20(21)16-10-11-25-19-9-6-15(12-17(19)13-16)14-4-7-18(8-5-14)26(2,22)23/h4-9,12-13H,3,10-11H2,1-2H3