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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-[2-(3-methylbut-2-enoylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-[2-(3-methylbut-2-enoylsulfanyl)acetyl]anilino)acetate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[2-[(3-methyl-1-oxobut-2-enyl)thio]-1-oxoethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-[2-(3-methylbut-2-enoylsulfanyl)acetyl]anilino)acetate Traditional Name: 2-(3-bromo-2,6-dimethyl-N-[2-(3-methylbut-2-enoylthio)acetyl]anilino)acetic acid methyl ester Formula: C18H22BrNO4S MolecularWeight: 428.34058

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO4S/c1-11(2)8-17(23)25-10-15(21)20(9-16(22)24-5)18-12(3)6-7-14(19)13(18)4/h6-8H,9-10H2,1-5H3