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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(2-methylpropanoylsulfanyl)ethanoyl]amino]propanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-[2-(2-methylpropanoylsulfanyl)acetyl]anilino)propanoate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[2-[(2-methyl-1-oxopropyl)thio]-1-oxoethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-[2-(2-methylpropanoylsulfanyl)acetyl]anilino)propanoate Traditional Name: 2-(3-bromo-N-[2-(isobutyrylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C18H24BrNO4S MolecularWeight: 430.35646

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO4S/c1-10(2)18(23)25-9-15(21)20(13(5)17(22)24-6)16-11(3)7-8-14(19)12(16)4/h7-8,10,13H,9H2,1-6H3