S-ethyl (2S,3S,4R,5S)-4,5-dimethyl-6-oxidanylidene-1,2-diphenyl-piperidine-3-carbothioate

Systemtic Name: S-ethyl (2S,3S,4R,5S)-4,5-dimethyl-6-oxidanylidene-1,2-diphenyl-piperidine-3-carbothioate Openeye Name: S-ethyl (2S,3S,4R,5S)-4,5-dimethyl-6-oxo-1,2-diphenyl-piperidine-3-carbothioate CAS Name: (2S,3S,4R,5S)-4,5-dimethyl-6-oxo-1,2-diphenyl-3-piperidinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3S,4R,5S)-4,5-dimethyl-6-oxo-1,2-diphenylpiperidine-3-carbothioate Traditional Name: (2S,3S,4R,5S)-6-keto-4,5-dimethyl-1,2-diphenyl-piperidine-3-carbothioic acid S-ethyl ester Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1C(C(C(=O)N(C1C2=CC=CC=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CCSC(=O)[C@H]1[C@@H]([C@@H](C(=O)N([C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H25NO2S/c1-4-26-22(25)19-15(2)16(3)21(24)23(18-13-9-6-10-14-18)20(19)17-11-7-5-8-12-17/h5-16,19-20H,4H2,1-3H3/t15-,16+,19+,20-/m1/s1