methyl 2-[11-[2-(thiophen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoate

Systemtic Name: methyl 2-[11-[2-(thiophen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoate Openeye Name: methyl 2-[11-[2-(2-thienylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate CAS Name: 2-[11-[2-(thiophen-2-ylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[11-[2-(thiophen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate Traditional Name: 2-[11-[2-(2-thienylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester Formula: C23H23NO5S3 MolecularWeight: 489.62742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H23NO5S3/c1-28-21(25)14-16-8-9-20-19(13-16)23(18-6-3-2-5-17(18)15-29-20)31-12-10-24-32(26,27)22-7-4-11-30-22/h2-9,11,13,23-24H,10,12,14-15H2,1H3