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

Systemtic Name: methyl 11-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-(benzyloxycarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(phenylmethoxycarbonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-(benzyloxycarbonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25NO5S/c1-30-25(28)19-11-12-23-22(15-19)24(21-10-6-5-9-20(21)17-31-23)33-14-13-27-26(29)32-16-18-7-3-2-4-8-18/h2-12,15,24H,13-14,16-17H2,1H3,(H,27,29)