methyl (2R)-4-[2-(4-cyanophenyl)carbonyloxyethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(4-cyanophenyl)carbonyloxyethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-cyanobenzoyl)oxyacetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[(4-cyanophenyl)-oxomethoxy]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-cyanobenzoyl)oxyacetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-cyanobenzoyl)oxyacetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H16N2O5S/c1-22-16(21)13-9-18(6-7-24-13)14(19)10-23-15(20)12-4-2-11(8-17)3-5-12/h2-5,13H,6-7,9-10H2,1H3/t13-/m1/s1