2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[4-(5-bromothiophen-2-yl)butanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]-3-hydroxy-butyric acid Formula: C12H16BrNO4S MolecularWeight: 350.22874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CCCC1=CC=C(S1)Br)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CCCC1=CC=C(S1)Br)O

InChI

InChI=1S/C12H16BrNO4S/c1-7(15)11(12(17)18)14-10(16)4-2-3-8-5-6-9(13)19-8/h5-7,11,15H,2-4H2,1H3,(H,14,16)(H,17,18)