methyl 5-ethyl-3-methylidene-5-(phenylsulfonyl)-4H-1-benzoxepine-7-carboxylate

Systemtic Name: methyl 5-ethyl-3-methylidene-5-(phenylsulfonyl)-4H-1-benzoxepine-7-carboxylate Openeye Name: methyl 5-(benzenesulfonyl)-5-ethyl-3-methylene-4H-1-benzoxepine-7-carboxylate CAS Name: 5-(benzenesulfonyl)-5-ethyl-3-methylene-4H-1-benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 5-(benzenesulfonyl)-5-ethyl-3-methylidene-4H-1-benzoxepine-7-carboxylate Traditional Name: 5-besyl-5-ethyl-3-methylene-4H-1-benzoxepin-7-carboxylic acid methyl ester Formula: C21H22O5S MolecularWeight: 386.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=C)COC2=C1C=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1(CC(=C)COC2=C1C=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22O5S/c1-4-21(27(23,24)17-8-6-5-7-9-17)13-15(2)14-26-19-11-10-16(12-18(19)21)20(22)25-3/h5-12H,2,4,13-14H2,1,3H3