methyl (2S)-2-[(4-bromophenyl)carbonylamino]-3,3-dimethyl-4-[(R)-methylsulfinyl]butanoate

Systemtic Name: methyl (2S)-2-[(4-bromophenyl)carbonylamino]-3,3-dimethyl-4-[(R)-methylsulfinyl]butanoate Openeye Name: methyl (2S)-2-[(4-bromobenzoyl)amino]-3,3-dimethyl-4-[(R)-methylsulfinyl]butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3,3-dimethyl-4-[(R)-methylsulfinyl]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-bromobenzoyl)amino]-3,3-dimethyl-4-[(R)-methylsulfinyl]butanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3,3-dimethyl-4-[(R)-methylsulfinyl]butyric acid methyl ester Formula: C15H20BrNO4S MolecularWeight: 390.2926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)C)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)(C[S@](=O)C)[C@@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C15H20BrNO4S/c1-15(2,9-22(4)20)12(14(19)21-3)17-13(18)10-5-7-11(16)8-6-10/h5-8,12H,9H2,1-4H3,(H,17,18)/t12-,22-/m1/s1