butyl 2-(2-azanyl-4-fluoranyl-phenyl)sulfanylethanoate

Systemtic Name: butyl 2-(2-azanyl-4-fluoranyl-phenyl)sulfanylethanoate Openeye Name: butyl 2-(2-amino-4-fluoro-phenyl)sulfanylacetate CAS Name: 2-[(2-amino-4-fluorophenyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(2-amino-4-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-amino-4-fluoro-phenyl)thio]acetic acid butyl ester Formula: C12H16FNO2S MolecularWeight: 257.324343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C=C(C=C1)F)N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C=C(C=C1)F)N

InChI

InChI=1S/C12H16FNO2S/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8,14H2,1H3