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

Systemtic Name: 1-ethoxycarbonyloxyethyl 11-(2-dimethylaminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 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 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 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 1-carbethoxyoxyethyl ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO6S/c1-5-28-24(27)31-16(2)30-23(26)17-10-11-21-20(14-17)22(32-13-12-25(3)4)19-9-7-6-8-18(19)15-29-21/h6-11,14,16,22H,5,12-13,15H2,1-4H3