methyl 11-(2-morpholin-4-ylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-(2-morpholin-4-ylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(2-morpholinoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(4-morpholinyl)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(2-morpholin-4-ylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(2-morpholinoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN4CCOCC4

InChI

InChI=1S/C22H25NO4S/c1-25-22(24)16-6-7-20-19(14-16)21(18-5-3-2-4-17(18)15-27-20)28-13-10-23-8-11-26-12-9-23/h2-7,14,21H,8-13,15H2,1H3