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

Systemtic Name: S-ethyl (2S,3S,4R)-2-(furan-2-yl)-4-methyl-6-oxidanylidene-1-phenyl-piperidine-3-carbothioate Openeye Name: S-ethyl (2S,3S,4R)-2-(2-furyl)-4-methyl-6-oxo-1-phenyl-piperidine-3-carbothioate CAS Name: (2S,3S,4R)-2-(2-furanyl)-4-methyl-6-oxo-1-phenyl-3-piperidinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3S,4R)-2-(furan-2-yl)-4-methyl-6-oxo-1-phenylpiperidine-3-carbothioate Traditional Name: (2S,3S,4R)-2-(2-furyl)-6-keto-4-methyl-1-phenyl-piperidine-3-carbothioic acid S-ethyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1C(CC(=O)N(C1C2=CC=CO2)C3=CC=CC=C3)C

Isomeric SMILES

CCSC(=O)[C@H]1[C@@H](CC(=O)N([C@@H]1C2=CC=CO2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H21NO3S/c1-3-24-19(22)17-13(2)12-16(21)20(14-8-5-4-6-9-14)18(17)15-10-7-11-23-15/h4-11,13,17-18H,3,12H2,1-2H3/t13-,17+,18-/m1/s1