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

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(3-methylthiophen-2-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-methylthiophene-2-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-methylbenzyl)-1-(3-methylthiophene-2-carbonyl)nipecotic acid ethyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(C=CS2)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=C(C=CS2)C)CC3=CC=CC=C3C

InChI

InChI=1S/C22H27NO3S/c1-4-26-21(25)22(14-18-9-6-5-8-16(18)2)11-7-12-23(15-22)20(24)19-17(3)10-13-27-19/h5-6,8-10,13H,4,7,11-12,14-15H2,1-3H3/t22-/m0/s1