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

Systemtic Name: methyl 11-(2-bromoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(2-bromoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(2-bromoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(2-bromoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(2-bromoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C18H17BrO3S MolecularWeight: 393.29478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCBr

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCBr

InChI

InChI=1S/C18H17BrO3S/c1-21-18(20)12-6-7-16-15(10-12)17(23-9-8-19)14-5-3-2-4-13(14)11-22-16/h2-7,10,17H,8-9,11H2,1H3