tert-butyl 2-(2-azanyl-4-bromanyl-phenyl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(2-azanyl-4-bromanyl-phenyl)sulfanylethanoate Openeye Name: tert-butyl 2-(2-amino-4-bromo-phenyl)sulfanylacetate CAS Name: 2-[(2-amino-4-bromophenyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-amino-4-bromophenyl)sulfanylacetate Traditional Name: 2-[(2-amino-4-bromo-phenyl)thio]acetic acid tert-butyl ester Formula: C12H16BrNO2S MolecularWeight: 318.22994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=C(C=C(C=C1)Br)N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=C(C=C(C=C1)Br)N

InChI

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