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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-3-10-22-21(28)23-18(25)12-31-20(27)15-7-5-4-6-14(15)19(26)13-8-9-17(32-2)16(11-13)24(29)30/h4-9,11H,3,10,12H2,1-2H3,(H2,22,23,25,28)