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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(2-methoxyethanoylsulfanyl)ethanoyl]amino]propanoate Openeye Name: methyl 2-(3-bromo-N-[2-(2-methoxyacetyl)sulfanylacetyl]-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-bromo-N-[2-[(2-methoxy-1-oxoethyl)thio]-1-oxoethyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-[2-(2-methoxyacetyl)sulfanylacetyl]-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-bromo-N-[2-[(2-methoxyacetyl)thio]acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C17H22BrNO5S MolecularWeight: 432.32928

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO5S/c1-10-6-7-13(18)11(2)16(10)19(12(3)17(22)24-5)14(20)9-25-15(21)8-23-4/h6-7,12H,8-9H2,1-5H3