methyl 5-[(4-azanyl-2-fluoranyl-phenyl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-azanyl-2-fluoranyl-phenyl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-amino-2-fluoro-phenyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-amino-2-fluorophenyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-amino-2-fluorophenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-amino-2-fluoro-phenyl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C13H12FNO3S MolecularWeight: 281.302683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=C(C=C(C=C2)N)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=C(C=C(C=C2)N)F

InChI

InChI=1S/C13H12FNO3S/c1-17-13(16)11-4-3-9(18-11)7-19-12-5-2-8(15)6-10(12)14/h2-6H,7,15H2,1H3