2-phenoxyethyl (2S,3R)-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: 2-phenoxyethyl (2S,3R)-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: 2-phenoxyethyl (2S,3R)-6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: (2S,3R)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (2S,3R)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: (2S,3R)-6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid 2-phenoxyethyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCCOC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@@H](CCC2=O)C(=O)OCCOC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C25H25NO4S/c1-18-9-11-19(12-10-18)26-23(27)14-13-21(24(26)22-8-5-17-31-22)25(28)30-16-15-29-20-6-3-2-4-7-20/h2-12,17,21,24H,13-16H2,1H3/t21-,24+/m1/s1