[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: [1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: [2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid [1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid [2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O7S/c1-14(21(28)16-7-9-18(10-8-16)24-15(2)27)33-23(30)20(11-12-34-3)25-22(29)17-5-4-6-19(13-17)26(31)32/h4-10,13-14,20H,11-12H2,1-3H3,(H,24,27)(H,25,29)