ethyl 9-ethylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-ethylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-ethylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-ethylsulfonyl-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-ethylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-esyl-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C15H18O5S MolecularWeight: 310.36542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S/c1-3-19-15(16)12-8-9-20-14-11(10-12)6-5-7-13(14)21(17,18)4-2/h5-7,10H,3-4,8-9H2,1-2H3