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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-cyclopentylcarbonylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-N-[2-(cyclopentanecarbonylsulfanyl)acetyl]-2,6-dimethyl-anilino)acetate CAS Name: 2-(3-bromo-N-[2-[[cyclopentyl(oxo)methyl]thio]-1-oxoethyl]-2,6-dimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-N-[2-(cyclopentanecarbonylsulfanyl)acetyl]-2,6-dimethylanilino)acetate Traditional Name: 2-(3-bromo-N-[2-(cyclopentanecarbonylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C19H24BrNO4S MolecularWeight: 442.36716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Br)C)N(CC(=O)OC)C(=O)CSC(=O)C2CCCC2

Isomeric SMILES

CC1=C(C(=C(C=C1)Br)C)N(CC(=O)OC)C(=O)CSC(=O)C2CCCC2

InChI

InChI=1S/C19H24BrNO4S/c1-12-8-9-15(20)13(2)18(12)21(10-17(23)25-3)16(22)11-26-19(24)14-6-4-5-7-14/h8-9,14H,4-7,10-11H2,1-3H3