ethyl 7-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 7-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 7-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-methylsulfonyl-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-mesyl-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C14H16O5S MolecularWeight: 296.33884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O5S/c1-3-18-14(15)10-6-7-19-13-5-4-12(20(2,16)17)9-11(13)8-10/h4-5,8-9H,3,6-7H2,1-2H3