(4-acetamidophenyl) 6-[(2-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxylate

Systemtic Name: (4-acetamidophenyl) 6-[(2-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxylate Openeye Name: (4-acetamidophenyl) 6-[(2-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxylate CAS Name: 6-[(2-fluorophenyl)methyl]-5-oxo-3-thiomorpholinecarboxylic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxylate Traditional Name: 6-(2-fluorobenzyl)-5-keto-thiomorpholine-3-carboxylic acid (4-acetamidophenyl) ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2CSC(C(=O)N2)CC3=CC=CC=C3F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2CSC(C(=O)N2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H19FN2O4S/c1-12(24)22-14-6-8-15(9-7-14)27-20(26)17-11-28-18(19(25)23-17)10-13-4-2-3-5-16(13)21/h2-9,17-18H,10-11H2,1H3,(H,22,24)(H,23,25)