methyl 2-[11-(2-iodanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]-2-methyl-propanoate

Systemtic Name: methyl 2-[11-(2-iodanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]-2-methyl-propanoate Openeye Name: methyl 2-[11-(2-iodoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]-2-methyl-propanoate CAS Name: 2-[11-(2-iodoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[11-(2-iodoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]-2-methylpropanoate Traditional Name: 2-[11-(2-iodoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]-2-methyl-propionic acid methyl ester Formula: C21H23IO3S MolecularWeight: 482.37499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCI)C(=O)OC

Isomeric SMILES

CC(C)(C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCI)C(=O)OC

InChI

InChI=1S/C21H23IO3S/c1-21(2,20(23)24-3)15-8-9-18-17(12-15)19(26-11-10-22)16-7-5-4-6-14(16)13-25-18/h4-9,12,19H,10-11,13H2,1-3H3