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

Systemtic Name: methyl 4-[2-(3-oxidanylidenethiomorpholin-2-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-ketothiomorpholin-2-yl)acetyl]amino]benzoic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-20-14(19)9-2-4-10(5-3-9)16-12(17)8-11-13(18)15-6-7-21-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,17)