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methyl 11-[2-(thiophen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

methyl 11-[2-(thiophen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name:methyl 11-[2-(thiophen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate
Openeye Name:methyl 11-[2-(2-thienylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate
CAS Name:11-[2-(thiophen-2-ylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester
IUPAC Name:methyl 11-[2-(thiophen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate
Traditional Name:11-[2-(2-thienylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester
Formula: C22H21NO5S3
MolecularWeight: 475.60084
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H21NO5S3/c1-27-22(24)15-8-9-19-18(13-15)21(17-6-3-2-5-16(17)14-28-19)30-12-10-23-31(25,26)20-7-4-11-29-20/h2-9,11,13,21,23H,10,12,14H2,1H3


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