prop-2-enyl (3R,4S,5R)-4-(2-chlorophenyl)-5-cyano-2-methylidene-5-prop-2-enyl-6-sulfanylidene-piperidine-3-carboxylate

Systemtic Name: prop-2-enyl (3R,4S,5R)-4-(2-chlorophenyl)-5-cyano-2-methylidene-5-prop-2-enyl-6-sulfanylidene-piperidine-3-carboxylate Openeye Name: allyl (3R,4S,5R)-5-allyl-4-(2-chlorophenyl)-5-cyano-2-methylene-6-thioxo-piperidine-3-carboxylate CAS Name: (3R,4S,5R)-4-(2-chlorophenyl)-5-cyano-2-methylene-5-prop-2-enyl-6-sulfanylidene-3-piperidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (3R,4S,5R)-4-(2-chlorophenyl)-5-cyano-2-methylidene-5-prop-2-enyl-6-sulfanylidenepiperidine-3-carboxylate Traditional Name: (3R,4S,5R)-5-allyl-4-(2-chlorophenyl)-5-cyano-2-methylene-6-thioxo-nipecotic acid allyl ester Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(C(C(=C)NC1=S)C(=O)OCC=C)C2=CC=CC=C2Cl)C#N

Isomeric SMILES

C=CC[C@@]1([C@H]([C@H](C(=C)NC1=S)C(=O)OCC=C)C2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C20H19ClN2O2S/c1-4-10-20(12-22)17(14-8-6-7-9-15(14)21)16(13(3)23-19(20)26)18(24)25-11-5-2/h4-9,16-17H,1-3,10-11H2,(H,23,26)/t16-,17-,20-/m0/s1