ethyl 11-(2-dimethylaminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: ethyl 11-(2-dimethylaminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: ethyl 11-(2-dimethylaminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(2-dimethylaminoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid ethyl ester IUPAC Name: ethyl 11-(2-dimethylaminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(2-dimethylaminoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid ethyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN(C)C

InChI

InChI=1S/C21H25NO3S/c1-4-24-21(23)15-9-10-19-18(13-15)20(26-12-11-22(2)3)17-8-6-5-7-16(17)14-25-19/h5-10,13,20H,4,11-12,14H2,1-3H3