ethyl 1-(5-ethanoylthiophen-3-yl)carbonyl-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(5-ethanoylthiophen-3-yl)carbonyl-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(5-acetylthiophene-3-carbonyl)-3-benzyl-piperidine-3-carboxylate CAS Name: 1-[(5-acetyl-3-thiophenyl)-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-acetylthiophene-3-carbonyl)-3-benzylpiperidine-3-carboxylate Traditional Name: 1-(5-acetylthiophene-3-carbonyl)-3-benzyl-nipecotic acid ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-3-27-21(26)22(13-17-8-5-4-6-9-17)10-7-11-23(15-22)20(25)18-12-19(16(2)24)28-14-18/h4-6,8-9,12,14H,3,7,10-11,13,15H2,1-2H3