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

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H19N3O8S MolecularWeight: 497.47726

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O8S/c1-35-19-9-8-14(11-18(19)26(31)32)21(28)16-6-2-3-7-17(16)22(29)34-13-20(27)25-23(30)24-12-15-5-4-10-33-15/h2-11H,12-13H2,1H3,(H2,24,25,27,30)