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

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-3-hydroxy-propionic acid Formula: C12H14BrNO4S MolecularWeight: 348.21286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO4S/c1-7-4-8(13)2-3-10(7)19-6-11(16)14-9(5-15)12(17)18/h2-4,9,15H,5-6H2,1H3,(H,14,16)(H,17,18)