[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-(furan-2-ylmethylsulfanylmethyl)benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-(furan-2-ylmethylsulfanylmethyl)benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-(2-furylmethylsulfanylmethyl)benzoate CAS Name: 4-[(2-furanylmethylthio)methyl]benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-(furan-2-ylmethylsulfanylmethyl)benzoate Traditional Name: 4-[(2-furfurylthio)methyl]benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C21H17NO6S MolecularWeight: 411.42778

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CSCC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO6S/c23-20(16-7-9-18(10-8-16)22(25)26)12-28-21(24)17-5-3-15(4-6-17)13-29-14-19-2-1-11-27-19/h1-11H,12-14H2