methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-thiophen-2-ylcarbonylsulfanylethanoyl)amino]propanoate

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-thiophen-2-ylcarbonylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-[2-(thiophene-2-carbonylsulfanyl)acetyl]anilino)propanoate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-[[oxo(thiophen-2-yl)methyl]thio]ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-[2-(thiophene-2-carbonylsulfanyl)acetyl]anilino)propanoate Traditional Name: 2-(3-bromo-2,6-dimethyl-N-[2-(2-thenoylthio)acetyl]anilino)propionic acid methyl ester Formula: C19H20BrNO4S2 MolecularWeight: 470.4004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Br)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C(=C(C=C1)Br)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C2=CC=CS2

InChI

InChI=1S/C19H20BrNO4S2/c1-11-7-8-14(20)12(2)17(11)21(13(3)18(23)25-4)16(22)10-27-19(24)15-6-5-9-26-15/h5-9,13H,10H2,1-4H3