methyl 2-[[4-(bromomethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(bromomethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(bromomethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(bromomethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(bromomethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(bromomethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CBr)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CBr)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C21H24BrNO3S/c1-14-6-4-5-7-16(14)18-12-15(13-22)8-9-17(18)20(24)23-19(10-11-27-3)21(25)26-2/h4-9,12,19H,10-11,13H2,1-3H3,(H,23,24)