2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]butanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]butyric acid Formula: C11H12BrNO3S MolecularWeight: 318.18688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C=CC1=CC=C(S1)Br

Isomeric SMILES

CCC(C(=O)O)NC(=O)/C=C/C1=CC=C(S1)Br

InChI

InChI=1S/C11H12BrNO3S/c1-2-8(11(15)16)13-10(14)6-4-7-3-5-9(12)17-7/h3-6,8H,2H2,1H3,(H,13,14)(H,15,16)/b6-4+