methyl 5-[(4-azanyl-2-fluoranyl-phenyl)sulfanylmethyl]-3-methyl-furan-2-carboxylate

Systemtic Name: methyl 5-[(4-azanyl-2-fluoranyl-phenyl)sulfanylmethyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[(4-amino-2-fluoro-phenyl)sulfanylmethyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[(4-amino-2-fluorophenyl)thio]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-amino-2-fluorophenyl)sulfanylmethyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[(4-amino-2-fluoro-phenyl)thio]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C14H14FNO3S MolecularWeight: 295.329263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CSC2=C(C=C(C=C2)N)F)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CSC2=C(C=C(C=C2)N)F)C(=O)OC

InChI

InChI=1S/C14H14FNO3S/c1-8-5-10(19-13(8)14(17)18-2)7-20-12-4-3-9(16)6-11(12)15/h3-6H,7,16H2,1-2H3