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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-ethanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(N-(2-acetylsulfanylacetyl)-3-bromo-2,6-dimethyl-anilino)propanoate CAS Name: 2-(N-[2-(acetylthio)-1-oxoethyl]-3-bromo-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(2-acetylsulfanylacetyl)-3-bromo-2,6-dimethylanilino)propanoate Traditional Name: 2-(N-[2-(acetylthio)acetyl]-3-bromo-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C16H20BrNO4S MolecularWeight: 402.3033

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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)C

Isomeric SMILES

CC1=C(C(=C(C=C1)Br)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C

InChI

InChI=1S/C16H20BrNO4S/c1-9-6-7-13(17)10(2)15(9)18(11(3)16(21)22-5)14(20)8-23-12(4)19/h6-7,11H,8H2,1-5H3