ethyl 1-(2-methylsulfanylethanoyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-methylsulfanylethanoyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(E)-cinnamyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxylate CAS Name: 1-[2-(methylthio)-1-oxoethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylsulfanylacetyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: 3-[(E)-cinnamyl]-1-[2-(methylthio)acetyl]nipecotic acid ethyl ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CSC)CC=CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CSC)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H27NO3S/c1-3-24-19(23)20(12-7-11-17-9-5-4-6-10-17)13-8-14-21(16-20)18(22)15-25-2/h4-7,9-11H,3,8,12-16H2,1-2H3/b11-7+