methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(furan-2-ylcarbonylsulfanyl)ethanoyl]amino]propanoate

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(furan-2-ylcarbonylsulfanyl)ethanoyl]amino]propanoate Openeye Name: methyl 2-(3-bromo-N-[2-(furan-2-carbonylsulfanyl)acetyl]-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-bromo-N-[2-[[2-furanyl(oxo)methyl]thio]-1-oxoethyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-[2-(furan-2-carbonylsulfanyl)acetyl]-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-bromo-N-[2-(2-furoylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C19H20BrNO5S MolecularWeight: 454.3348

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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=CO2

Isomeric SMILES

CC1=C(C(=C(C=C1)Br)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C2=CC=CO2

InChI

InChI=1S/C19H20BrNO5S/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