ethyl (3S)-1-[(5-ethanoylthiophen-3-yl)methyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(5-ethanoylthiophen-3-yl)methyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-acetyl-3-thienyl)methyl]-3-benzyl-piperidine-3-carboxylate CAS Name: (3S)-1-[(5-acetyl-3-thiophenyl)methyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-acetylthiophen-3-yl)methyl]-3-benzylpiperidine-3-carboxylate Traditional Name: (3S)-1-[(5-acetyl-3-thienyl)methyl]-3-benzyl-nipecotic acid ethyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CSC(=C2)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=CSC(=C2)C(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3S/c1-3-26-21(25)22(13-18-8-5-4-6-9-18)10-7-11-23(16-22)14-19-12-20(17(2)24)27-15-19/h4-6,8-9,12,15H,3,7,10-11,13-14,16H2,1-2H3/t22-/m0/s1