ethyl 1-[2-(triphenylmethyl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(triphenylmethyl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-tritylsulfanylacetyl)piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(triphenylmethyl)thio]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-tritylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(tritylthio)acetyl]isonipecotic acid ethyl ester Formula: C29H31NO3S MolecularWeight: 473.62634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31NO3S/c1-2-33-28(32)23-18-20-30(21-19-23)27(31)22-34-29(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,23H,2,18-22H2,1H3