methyl 4-[[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(2-morpholino-2-oxo-ethyl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(2-keto-2-morpholino-ethyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCC(=O)N2CCOCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCC(=O)N2CCOCC2

InChI

InChI=1S/C17H22N2O5S/c1-23-17(22)14-4-2-13(3-5-14)10-18-15(20)11-25-12-16(21)19-6-8-24-9-7-19/h2-5H,6-12H2,1H3,(H,18,20)