methyl 3-[11-(2-iodanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoate

Systemtic Name: methyl 3-[11-(2-iodanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoate Openeye Name: methyl 3-[11-(2-iodoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoate CAS Name: 3-[11-(2-iodoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[11-(2-iodoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propanoate Traditional Name: 3-[11-(2-iodoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]propionic acid methyl ester Formula: C20H21IO3S MolecularWeight: 468.34841

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCI

Isomeric SMILES

COC(=O)CCC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCI

InChI

InChI=1S/C20H21IO3S/c1-23-19(22)9-7-14-6-8-18-17(12-14)20(25-11-10-21)16-5-3-2-4-15(16)13-24-18/h2-6,8,12,20H,7,9-11,13H2,1H3