[2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(2-methylmorpholin-4-yl)-2-oxo-ethyl] 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid [2-(2-methyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid [2-keto-2-(2-methylmorpholino)ethyl] ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCO1)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O7S/c1-14-12-23(9-10-30-14)20(25)13-31-22(27)17-6-4-3-5-16(17)21(26)15-7-8-19(32-2)18(11-15)24(28)29/h3-8,11,14H,9-10,12-13H2,1-2H3