2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-3-hydroxy-butyric acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C13H16BrNO4S/c1-7-5-9(14)3-4-10(7)20-6-11(17)15-12(8(2)16)13(18)19/h3-5,8,12,16H,6H2,1-2H3,(H,15,17)(H,18,19)