11-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[2-(benzyloxycarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[2-(phenylmethoxycarbonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[2-(benzyloxycarbonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H23NO5S/c27-24(28)18-10-11-22-21(14-18)23(20-9-5-4-8-19(20)16-30-22)32-13-12-26-25(29)31-15-17-6-2-1-3-7-17/h1-11,14,23H,12-13,15-16H2,(H,26,29)(H,27,28)