(4-cyanophenyl)methyl (2R)-4-(4-fluorophenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: (4-cyanophenyl)methyl (2R)-4-(4-fluorophenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: (4-cyanophenyl)methyl (2R)-4-(4-fluorobenzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(4-fluorophenyl)-oxomethyl]-2-thiomorpholinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-4-(4-fluorobenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-fluorobenzoyl)thiomorpholine-2-carboxylic acid (4-cyanobenzyl) ester Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CN1C(=O)C2=CC=C(C=C2)F)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CS[C@H](CN1C(=O)C2=CC=C(C=C2)F)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17FN2O3S/c21-17-7-5-16(6-8-17)19(24)23-9-10-27-18(12-23)20(25)26-13-15-3-1-14(11-22)2-4-15/h1-8,18H,9-10,12-13H2/t18-/m1/s1