4-cyano-4-phenylsulfanyl-piperidine-1-carboxylate

Systemtic Name: 4-cyano-4-phenylsulfanyl-piperidine-1-carboxylate Openeye Name: 4-cyano-4-phenylsulfanyl-piperidine-1-carboxylate CAS Name: 4-cyano-4-(phenylthio)-1-piperidinecarboxylate IUPAC Name: 4-cyano-4-phenylsulfanylpiperidine-1-carboxylate Traditional Name: 4-cyano-4-(phenylthio)piperidine-1-carboxylate Formula: C13H13N2O2S- MolecularWeight: 261.31952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)SC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CN(CCC1(C#N)SC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H14N2O2S/c14-10-13(18-11-4-2-1-3-5-11)6-8-15(9-7-13)12(16)17/h1-5H,6-9H2,(H,16,17)/p-1