ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(5-ethanoylthiophen-2-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(5-ethanoylthiophen-2-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5-acetylthiophene-2-carbonyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(5-acetyl-2-thiophenyl)-oxomethyl]-3-[(3-chlorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5-acetylthiophene-2-carbonyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(5-acetylthiophene-2-carbonyl)-3-(3-chlorobenzyl)nipecotic acid ethyl ester Formula: C22H24ClNO4S MolecularWeight: 433.94826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(S2)C(=O)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=C(S2)C(=O)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H24ClNO4S/c1-3-28-21(27)22(13-16-6-4-7-17(23)12-16)10-5-11-24(14-22)20(26)19-9-8-18(29-19)15(2)25/h4,6-9,12H,3,5,10-11,13-14H2,1-2H3/t22-/m0/s1