propyl 2-(2-azanyl-6-bromanyl-phenyl)-2-methylsulfanyl-ethanoate

Systemtic Name: propyl 2-(2-azanyl-6-bromanyl-phenyl)-2-methylsulfanyl-ethanoate Openeye Name: propyl 2-(2-amino-6-bromo-phenyl)-2-methylsulfanyl-acetate CAS Name: 2-(2-amino-6-bromophenyl)-2-(methylthio)acetic acid propyl ester IUPAC Name: propyl 2-(2-amino-6-bromophenyl)-2-methylsulfanylacetate Traditional Name: 2-(2-amino-6-bromo-phenyl)-2-(methylthio)acetic acid propyl ester Formula: C12H16BrNO2S MolecularWeight: 318.22994

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C1=C(C=CC=C1Br)N)SC

Isomeric SMILES

CCCOC(=O)C(C1=C(C=CC=C1Br)N)SC

InChI

InChI=1S/C12H16BrNO2S/c1-3-7-16-12(15)11(17-2)10-8(13)5-4-6-9(10)14/h4-6,11H,3,7,14H2,1-2H3