ethyl 4-[6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-[(4-fluorophenyl)methyl]-5-oxo-3-thiomorpholinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-fluorobenzyl)-5-keto-thiomorpholine-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24FN3O4S MolecularWeight: 409.474963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H24FN3O4S/c1-2-27-19(26)23-9-7-22(8-10-23)18(25)15-12-28-16(17(24)21-15)11-13-3-5-14(20)6-4-13/h3-6,15-16H,2,7-12H2,1H3,(H,21,24)