methyl 4-morpholin-4-yl-3-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-morpholino-3-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 4-morpholino-3-[[2-(phenylthio)acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-25-20(24)15-7-8-18(22-9-11-26-12-10-22)17(13-15)21-19(23)14-27-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,23)