(2-azanyl-2-oxidanylidene-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (2-amino-2-keto-ethyl) ester Formula: C12H14BrNO3S MolecularWeight: 332.21346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N

InChI

InChI=1S/C12H14BrNO3S/c1-7-4-10(8(2)3-9(7)13)18-6-12(16)17-5-11(14)15/h3-4H,5-6H2,1-2H3,(H2,14,15)