(4-methylsulfanylphenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [4-(methylthio)benzyl] ester Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO4S2/c1-19-10-4-2-9(3-5-10)8-18-13(15)11-6-7-12(20-11)14(16)17/h2-7H,8H2,1H3