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

Systemtic Name: 7-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]heptanoic acid Openeye Name: 7-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]heptanoic acid CAS Name: 7-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]heptanoic acid IUPAC Name: 7-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]heptanoic acid Traditional Name: 7-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]enanthic acid Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C=CC(=O)NCCCCCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)Br)/C=C/C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C14H18BrNO3S/c15-12-8-6-11(20-12)7-9-13(17)16-10-4-2-1-3-5-14(18)19/h6-9H,1-5,10H2,(H,16,17)(H,18,19)/b9-7+