ethyl (2R)-1-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enoxy]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(E)-3-[4-(methylthio)phenyl]acryloyl]oxyacetyl]pipecolinic acid ethyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H25NO5S/c1-3-25-20(24)17-6-4-5-13-21(17)18(22)14-26-19(23)12-9-15-7-10-16(27-2)11-8-15/h7-12,17H,3-6,13-14H2,1-2H3/b12-9+/t17-/m1/s1