methyl 2-[(4-azanyl-2-fluoranyl-phenyl)sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-[(4-azanyl-2-fluoranyl-phenyl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-[(4-amino-2-fluoro-phenyl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[(4-amino-2-fluorophenyl)thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-amino-2-fluorophenyl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[(4-amino-2-fluoro-phenyl)thio]methyl]furan-3-carboxylic acid methyl ester Formula: C13H12FNO3S MolecularWeight: 281.302683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CSC2=C(C=C(C=C2)N)F

Isomeric SMILES

COC(=O)C1=C(OC=C1)CSC2=C(C=C(C=C2)N)F

InChI

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