(2-azanyl-2-oxidanylidene-ethyl) 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (2-amino-2-keto-ethyl) ester Formula: C11H12BrNO3S MolecularWeight: 318.18688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N

InChI

InChI=1S/C11H12BrNO3S/c1-7-4-8(12)2-3-9(7)17-6-11(15)16-5-10(13)14/h2-4H,5-6H2,1H3,(H2,13,14)