(4-methylsulfanylphenyl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [4-(methylthio)benzyl] ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H22BrNO3S/c1-13(2)18(22-19(23)16-6-4-5-7-17(16)21)20(24)25-12-14-8-10-15(26-3)11-9-14/h4-11,13,18H,12H2,1-3H3,(H,22,23)/t18-/m0/s1