ethyl 1-[2-[(5S)-5-cyano-6H-benzo[b][1]benzothiepin-5-yl]ethyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(5S)-5-cyano-6H-benzo[b][1]benzothiepin-5-yl]ethyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5S)-5-cyano-6H-benzo[b][1]benzothiepin-5-yl]ethyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-[(5S)-5-cyano-6H-benzo[b][1]benzothiepin-5-yl]ethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5S)-5-cyano-6H-benzo[b][1]benzothiepin-5-yl]ethyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-[(5S)-5-cyano-6H-benzo[b][1]benzothiepin-5-yl]ethyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C31H32N2O2S MolecularWeight: 496.66298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCC2(CC3=CC=CC=C3SC4=CC=CC=C42)C#N)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC[C@]2(CC3=CC=CC=C3SC4=CC=CC=C42)C#N)C5=CC=CC=C5

InChI

InChI=1S/C31H32N2O2S/c1-2-35-29(34)31(25-11-4-3-5-12-25)17-20-33(21-18-31)19-16-30(23-32)22-24-10-6-8-14-27(24)36-28-15-9-7-13-26(28)30/h3-15H,2,16-22H2,1H3/t30-/m0/s1