S-[(1R,2S)-1,2-diphenyl-2-piperidin-1-yl-ethyl] ethanethioate

Systemtic Name: S-[(1R,2S)-1,2-diphenyl-2-piperidin-1-yl-ethyl] ethanethioate Openeye Name: S-[(1R,2S)-1,2-diphenyl-2-(1-piperidyl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[(1R,2S)-1,2-diphenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: S-[(1R,2S)-1,2-diphenyl-2-piperidin-1-ylethyl] ethanethioate Traditional Name: ethanethioic acid S-[(1R,2S)-1,2-diphenyl-2-piperidino-ethyl] ester Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C1=CC=CC=C1)C(C2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CC(=O)S[C@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C21H25NOS/c1-17(23)24-21(19-13-7-3-8-14-19)20(18-11-5-2-6-12-18)22-15-9-4-10-16-22/h2-3,5-8,11-14,20-21H,4,9-10,15-16H2,1H3/t20-,21+/m0/s1