ethyl 1-(2-methylsulfanylpyridin-3-yl)carbonyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-methylsulfanylpyridin-3-yl)carbonyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(E)-cinnamyl]-1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate CAS Name: 1-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylsulfanylpyridine-3-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: 3-[(E)-cinnamyl]-1-[2-(methylthio)nicotinoyl]nipecotic acid ethyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(N=CC=C2)SC)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(N=CC=C2)SC)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O3S/c1-3-29-23(28)24(14-7-12-19-10-5-4-6-11-19)15-9-17-26(18-24)22(27)20-13-8-16-25-21(20)30-2/h4-8,10-13,16H,3,9,14-15,17-18H2,1-2H3/b12-7+