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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(3-methylbut-2-enoylsulfanyl)ethanoyl]amino]propanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-[2-(3-methylbut-2-enoylsulfanyl)acetyl]anilino)propanoate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[2-[(3-methyl-1-oxobut-2-enyl)thio]-1-oxoethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-[2-(3-methylbut-2-enoylsulfanyl)acetyl]anilino)propanoate Traditional Name: 2-(3-bromo-2,6-dimethyl-N-[2-(3-methylbut-2-enoylthio)acetyl]anilino)propionic acid methyl ester Formula: C19H24BrNO4S MolecularWeight: 442.36716

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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=C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrNO4S/c1-11(2)9-17(23)26-10-16(22)21(14(5)19(24)25-6)18-12(3)7-8-15(20)13(18)4/h7-9,14H,10H2,1-6H3