methyl 3-methylidene-5-(phenylsulfonyl)-4,5-dihydro-1-benzoxepine-7-carboxylate

Systemtic Name: methyl 3-methylidene-5-(phenylsulfonyl)-4,5-dihydro-1-benzoxepine-7-carboxylate Openeye Name: methyl 5-(benzenesulfonyl)-3-methylene-4,5-dihydro-1-benzoxepine-7-carboxylate CAS Name: 5-(benzenesulfonyl)-3-methylene-4,5-dihydro-1-benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 5-(benzenesulfonyl)-3-methylidene-4,5-dihydro-1-benzoxepine-7-carboxylate Traditional Name: 5-besyl-3-methylene-4,5-dihydro-1-benzoxepin-7-carboxylic acid methyl ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC(=C)CC2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC(=C)CC2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18O5S/c1-13-10-18(25(21,22)15-6-4-3-5-7-15)16-11-14(19(20)23-2)8-9-17(16)24-12-13/h3-9,11,18H,1,10,12H2,2H3