ethyl 2-[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(isopropylsulfamoyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]sulfanylacetate Traditional Name: 2-[[4-(isopropylsulfamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C13H18N2O6S2 MolecularWeight: 362.42182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6S2/c1-4-21-13(16)8-22-12-6-5-10(7-11(12)15(17)18)23(19,20)14-9(2)3/h5-7,9,14H,4,8H2,1-3H3