methyl 2-morpholin-4-yl-5-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 2-morpholin-4-yl-5-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: methyl 2-morpholino-5-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 2-(4-morpholinyl)-5-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-morpholin-4-yl-5-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 2-morpholino-5-[[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=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCOCC3

InChI

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