methyl 3-methylidene-5-(phenylsulfonyl)-5-prop-2-enyl-4H-1-benzoxepine-7-carboxylate

Systemtic Name: methyl 3-methylidene-5-(phenylsulfonyl)-5-prop-2-enyl-4H-1-benzoxepine-7-carboxylate Openeye Name: methyl 5-allyl-5-(benzenesulfonyl)-3-methylene-4H-1-benzoxepine-7-carboxylate CAS Name: 5-(benzenesulfonyl)-3-methylene-5-prop-2-enyl-4H-1-benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 5-(benzenesulfonyl)-3-methylidene-5-prop-2-enyl-4H-1-benzoxepine-7-carboxylate Traditional Name: 5-allyl-5-besyl-3-methylene-4H-1-benzoxepin-7-carboxylic acid methyl ester Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC(=C)CC2(CC=C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC(=C)CC2(CC=C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22O5S/c1-4-12-22(28(24,25)18-8-6-5-7-9-18)14-16(2)15-27-20-11-10-17(13-19(20)22)21(23)26-3/h4-11,13H,1-2,12,14-15H2,3H3