ethyl 4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate CAS Name: 4-[9-methoxy-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carboxylate Traditional Name: 4-[9-methoxy-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=C2C=C(C=C4)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=C2C=C(C=C4)SC

InChI

InChI=1S/C23H28N2O3S2/c1-4-28-23(26)25-11-9-24(10-12-25)20-13-16-5-6-17(27-2)14-22(16)30-21-8-7-18(29-3)15-19(20)21/h5-8,14-15,20H,4,9-13H2,1-3H3