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

Systemtic Name: ethyl (3S)-1-(5-ethanoylthiophen-2-yl)carbonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5-acetylthiophene-2-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(5-acetyl-2-thiophenyl)-oxomethyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5-acetylthiophene-2-carbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(5-acetylthiophene-2-carbonyl)-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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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=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=C(S2)C(=O)C)CC3=CC=CC=C3C

InChI

InChI=1S/C23H27NO4S/c1-4-28-22(27)23(14-18-9-6-5-8-16(18)2)12-7-13-24(15-23)21(26)20-11-10-19(29-20)17(3)25/h5-6,8-11H,4,7,12-15H2,1-3H3/t23-/m0/s1