ethyl 4-acetyloxy-5-(4-bromanyl-2-nitro-phenyl)sulfanyl-2-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-acetyloxy-5-(4-bromanyl-2-nitro-phenyl)sulfanyl-2-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-acetoxy-5-(4-bromo-2-nitro-phenyl)sulfanyl-2-methyl-thiophene-3-carboxylate CAS Name: 4-acetyloxy-5-[(4-bromo-2-nitrophenyl)thio]-2-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyloxy-5-(4-bromo-2-nitrophenyl)sulfanyl-2-methylthiophene-3-carboxylate Traditional Name: 4-acetoxy-5-[(4-bromo-2-nitro-phenyl)thio]-2-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H14BrNO6S2 MolecularWeight: 460.31946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1OC(=O)C)SC2=C(C=C(C=C2)Br)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1OC(=O)C)SC2=C(C=C(C=C2)Br)[N+](=O)[O-])C

InChI

InChI=1S/C16H14BrNO6S2/c1-4-23-15(20)13-8(2)25-16(14(13)24-9(3)19)26-12-6-5-10(17)7-11(12)18(21)22/h5-7H,4H2,1-3H3