methyl 5-nitro-4-phenylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-nitro-4-phenylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 5-nitro-4-phenylsulfanyl-thiophene-2-carboxylate CAS Name: 5-nitro-4-(phenylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-nitro-4-phenylsulfanylthiophene-2-carboxylate Traditional Name: 5-nitro-4-(phenylthio)thiophene-2-carboxylic acid methyl ester Formula: C12H9NO4S2 MolecularWeight: 295.33416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(S1)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C12H9NO4S2/c1-17-12(14)10-7-9(11(19-10)13(15)16)18-8-5-3-2-4-6-8/h2-7H,1H3