ethyl 3-bromanyl-4-(3-methylsulfanylpropanoylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(3-methylsulfanylpropanoylamino)benzoate Openeye Name: ethyl 3-bromo-4-(3-methylsulfanylpropanoylamino)benzoate CAS Name: 3-bromo-4-[[3-(methylthio)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(3-methylsulfanylpropanoylamino)benzoate Traditional Name: 3-bromo-4-[3-(methylthio)propanoylamino]benzoic acid ethyl ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCSC)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCSC)Br

InChI

InChI=1S/C13H16BrNO3S/c1-3-18-13(17)9-4-5-11(10(14)8-9)15-12(16)6-7-19-2/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)