[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S/c1-24-13-5-4-10(7-12(13)17(20)21)15(19)23-9-14(18)16-8-11-3-2-6-22-11/h2-7H,8-9H2,1H3,(H,16,18)