methyl 5-morpholin-4-yl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 5-morpholin-4-yl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 5-morpholino-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate CAS Name: 5-(4-morpholinyl)-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-morpholin-4-yl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 5-morpholino-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-28-20(25)17-12-15(22-8-10-29-11-9-22)4-7-18(17)21-19(24)13-30-16-5-2-14(3-6-16)23(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,24)