[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H27NO3S/c28-25(27-14-12-21(13-15-27)16-20-6-2-1-3-7-20)18-30-26(29)19-31-24-11-10-22-8-4-5-9-23(22)17-24/h1-11,17,21H,12-16,18-19H2