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

Systemtic Name: naphthalen-1-ylmethyl (2S,3R)-1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: 1-naphthylmethyl (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 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl (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 1-naphthylmethyl ester Formula: C28H25NO3S MolecularWeight: 455.568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=CC=CC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@@H](CCC2=O)C(=O)OCC3=CC=CC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C28H25NO3S/c1-19-11-13-22(14-12-19)29-26(30)16-15-24(27(29)25-10-5-17-33-25)28(31)32-18-21-8-4-7-20-6-2-3-9-23(20)21/h2-14,17,24,27H,15-16,18H2,1H3/t24-,27+/m1/s1