methyl 5-nitro-4-(phenylmethylsulfanyl)thiophene-3-carboxylate

Systemtic Name: methyl 5-nitro-4-(phenylmethylsulfanyl)thiophene-3-carboxylate Openeye Name: methyl 4-benzylsulfanyl-5-nitro-thiophene-3-carboxylate CAS Name: 5-nitro-4-(phenylmethylthio)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-5-nitrothiophene-3-carboxylate Traditional Name: 4-(benzylthio)-5-nitro-thiophene-3-carboxylic acid methyl ester Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CSC(=C1SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

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