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

Systemtic Name: methyl 3-methylidene-5-(phenylmethyl)-5-(phenylsulfonyl)-4H-1-benzoxepine-7-carboxylate Openeye Name: methyl 5-(benzenesulfonyl)-5-benzyl-3-methylene-4H-1-benzoxepine-7-carboxylate CAS Name: 5-(benzenesulfonyl)-3-methylene-5-(phenylmethyl)-4H-1-benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 5-(benzenesulfonyl)-5-benzyl-3-methylidene-4H-1-benzoxepine-7-carboxylate Traditional Name: 5-benzyl-5-besyl-3-methylene-4H-1-benzoxepin-7-carboxylic acid methyl ester Formula: C26H24O5S MolecularWeight: 448.53076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC(=C)CC2(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC(=C)CC2(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24O5S/c1-19-16-26(17-20-9-5-3-6-10-20,32(28,29)22-11-7-4-8-12-22)23-15-21(25(27)30-2)13-14-24(23)31-18-19/h3-15H,1,16-18H2,2H3