methyl 3-azanyl-5-(3-bromanyl-5-fluoranyl-phenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-(3-bromanyl-5-fluoranyl-phenyl)thiophene-2-carboxylate Openeye Name: methyl 3-amino-5-(3-bromo-5-fluoro-phenyl)thiophene-2-carboxylate CAS Name: 3-amino-5-(3-bromo-5-fluorophenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-(3-bromo-5-fluorophenyl)thiophene-2-carboxylate Traditional Name: 3-amino-5-(3-bromo-5-fluoro-phenyl)thiophene-2-carboxylic acid methyl ester Formula: C12H9BrFNO2S MolecularWeight: 330.172763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC(=CC(=C2)Br)F)N

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC(=CC(=C2)Br)F)N

InChI

InChI=1S/C12H9BrFNO2S/c1-17-12(16)11-9(15)5-10(18-11)6-2-7(13)4-8(14)3-6/h2-5H,15H2,1H3