ethyl 2-[4-(furan-2-ylmethylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(furan-2-ylmethylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(2-furylmethylcarbamoyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(2-furanylmethylamino)-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(furan-2-ylmethylcarbamoyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(2-furfurylcarbamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-2-23-15(19)10-25-14-6-5-11(8-13(14)18(21)22)16(20)17-9-12-4-3-7-24-12/h3-8H,2,9-10H2,1H3,(H,17,20)