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

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]-3-hydroxy-propanoic acid CAS Name: 2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[4-(5-bromothiophen-2-yl)butanoylamino]-3-hydroxypropanoic acid Traditional Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]-3-hydroxy-propionic acid Formula: C11H14BrNO4S MolecularWeight: 336.20216

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)CCCC(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Br)CCCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C11H14BrNO4S/c12-9-5-4-7(18-9)2-1-3-10(15)13-8(6-14)11(16)17/h4-5,8,14H,1-3,6H2,(H,13,15)(H,16,17)