2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-3-hydroxy-butyric acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C14H18BrNO4S/c1-7-5-11(8(2)4-10(7)15)21-6-12(18)16-13(9(3)17)14(19)20/h4-5,9,13,17H,6H2,1-3H3,(H,16,18)(H,19,20)