S-ethyl (2S,3S,4R)-1-(4-methoxyphenyl)-4-methyl-6-oxidanylidene-2-phenyl-piperidine-3-carbothioate

Systemtic Name: S-ethyl (2S,3S,4R)-1-(4-methoxyphenyl)-4-methyl-6-oxidanylidene-2-phenyl-piperidine-3-carbothioate Openeye Name: S-ethyl (2S,3S,4R)-1-(4-methoxyphenyl)-4-methyl-6-oxo-2-phenyl-piperidine-3-carbothioate CAS Name: (2S,3S,4R)-1-(4-methoxyphenyl)-4-methyl-6-oxo-2-phenyl-3-piperidinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3S,4R)-1-(4-methoxyphenyl)-4-methyl-6-oxo-2-phenylpiperidine-3-carbothioate Traditional Name: (2S,3S,4R)-6-keto-1-(4-methoxyphenyl)-4-methyl-2-phenyl-piperidine-3-carbothioic acid S-ethyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3S/c1-4-27-22(25)20-15(2)14-19(24)23(17-10-12-18(26-3)13-11-17)21(20)16-8-6-5-7-9-16/h5-13,15,20-21H,4,14H2,1-3H3/t15-,20+,21-/m1/s1