butyl 4-[2-(3-oxidanylidenethiomorpholin-2-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-oxidanylidenethiomorpholin-2-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-ketothiomorpholin-2-yl)acetyl]amino]benzoic acid butyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCS2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCS2

InChI

InChI=1S/C17H22N2O4S/c1-2-3-9-23-17(22)12-4-6-13(7-5-12)19-15(20)11-14-16(21)18-8-10-24-14/h4-7,14H,2-3,8-11H2,1H3,(H,18,21)(H,19,20)