methyl 11-(2-azanylethylsulfanyl)-9-bromanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-(2-azanylethylsulfanyl)-9-bromanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(2-aminoethylsulfanyl)-9-bromo-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(2-aminoethylthio)-9-bromo-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(2-aminoethylsulfanyl)-9-bromo-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(2-aminoethylthio)-9-bromo-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=C(C2SCCN)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=C(C2SCCN)C=C(C=C3)Br

InChI

InChI=1S/C18H18BrNO3S/c1-22-18(21)11-3-5-16-15(8-11)17(24-7-6-20)14-9-13(19)4-2-12(14)10-23-16/h2-5,8-9,17H,6-7,10,20H2,1H3