methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(2-methoxyethanoylsulfanyl)ethanoyl]amino]ethanoate

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(2-methoxyethanoylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: methyl 2-(3-bromo-N-[2-(2-methoxyacetyl)sulfanylacetyl]-2,6-dimethyl-anilino)acetate CAS Name: 2-(3-bromo-N-[2-[(2-methoxy-1-oxoethyl)thio]-1-oxoethyl]-2,6-dimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-[2-(2-methoxyacetyl)sulfanylacetyl]-2,6-dimethylanilino)acetate Traditional Name: 2-(3-bromo-N-[2-[(2-methoxyacetyl)thio]acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C16H20BrNO5S MolecularWeight: 418.3027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO5S/c1-10-5-6-12(17)11(2)16(10)18(7-14(20)23-4)13(19)9-24-15(21)8-22-3/h5-6H,7-9H2,1-4H3