2-acetamido-3-(5-bromanyl-1-benzothiophen-4-yl)propanoic acid

Systemtic Name: 2-acetamido-3-(5-bromanyl-1-benzothiophen-4-yl)propanoic acid Openeye Name: 2-acetamido-3-(5-bromobenzothiophen-4-yl)propanoic acid CAS Name: 2-acetamido-3-(5-bromo-1-benzothiophen-4-yl)propanoic acid IUPAC Name: 2-acetamido-3-(5-bromo-1-benzothiophen-4-yl)propanoic acid Traditional Name: 2-acetamido-3-(5-bromobenzothiophen-4-yl)propionic acid Formula: C13H12BrNO3S MolecularWeight: 342.20828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(C=CC2=C1C=CS2)Br)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=C(C=CC2=C1C=CS2)Br)C(=O)O

InChI

InChI=1S/C13H12BrNO3S/c1-7(16)15-11(13(17)18)6-9-8-4-5-19-12(8)3-2-10(9)14/h2-5,11H,6H2,1H3,(H,15,16)(H,17,18)