methyl 11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate

Systemtic Name: methyl 11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate Openeye Name: methyl 11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate CAS Name: 11-[2-(benzenesulfonamido)ethylthio]-6,11-dihydrobenzo[c][1]benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate Traditional Name: 11-[2-(benzenesulfonamido)ethylthio]-6,11-dihydrobenzo[c][1]benzothiepin-2-carboxylic acid methyl ester Formula: C24H23NO4S3 MolecularWeight: 485.63872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23NO4S3/c1-29-24(26)17-11-12-22-21(15-17)23(20-10-6-5-7-18(20)16-31-22)30-14-13-25-32(27,28)19-8-3-2-4-9-19/h2-12,15,23,25H,13-14,16H2,1H3