methyl (2R)-4-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[[(E)-3-phenylacryloyl]amino]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CNC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CNC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O4S/c1-23-17(22)14-12-19(9-10-24-14)16(21)11-18-15(20)8-7-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,18,20)/b8-7+/t14-/m1/s1