1-(2-naphthalen-2-ylsulfanylethanoyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-naphthalen-2-ylsulfanylethanoyl)piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-naphthylsulfanyl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-naphthalenylthio)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-naphthylthio)acetyl]isonipecotic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H19NO3S/c20-17(19-9-7-14(8-10-19)18(21)22)12-23-16-6-5-13-3-1-2-4-15(13)11-16/h1-6,11,14H,7-10,12H2,(H,21,22)