ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-methyl-2-thiophenyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(4-fluorobenzyl)-1-(5-methylthiophene-2-carbonyl)nipecotic acid ethyl ester Formula: C21H24FNO3S MolecularWeight: 389.483563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO3S/c1-3-26-20(25)21(13-16-6-8-17(22)9-7-16)11-4-12-23(14-21)19(24)18-10-5-15(2)27-18/h5-10H,3-4,11-14H2,1-2H3/t21-/m0/s1