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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(2-methylpropanoylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-[2-(2-methylpropanoylsulfanyl)acetyl]anilino)acetate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[2-[(2-methyl-1-oxopropyl)thio]-1-oxoethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-[2-(2-methylpropanoylsulfanyl)acetyl]anilino)acetate Traditional Name: 2-(3-bromo-N-[2-(isobutyrylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C17H22BrNO4S MolecularWeight: 416.32988

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO4S/c1-10(2)17(22)24-9-14(20)19(8-15(21)23-5)16-11(3)6-7-13(18)12(16)4/h6-7,10H,8-9H2,1-5H3