ethyl 4-[[2-(2-oxidanyl-3-thiomorpholin-4-yl-propoxy)phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(2-oxidanyl-3-thiomorpholin-4-yl-propoxy)phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-(2-hydroxy-3-thiomorpholino-propoxy)phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-hydroxy-3-thiomorpholino-propoxy)benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2OCC(CN3CCSCC3)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2OCC(CN3CCSCC3)O

InChI

InChI=1S/C21H33N3O4S/c1-2-27-21(26)24-9-7-22(8-10-24)15-18-5-3-4-6-20(18)28-17-19(25)16-23-11-13-29-14-12-23/h3-6,19,25H,2,7-17H2,1H3