2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-fluoranyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-fluoranyl-benzoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-4-fluoro-benzoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-fluorobenzoic acid IUPAC Name: 2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-4-fluorobenzoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-4-fluoro-benzoic acid Formula: C14H9BrFNO3S MolecularWeight: 370.193563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)NC(=O)C=CC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)NC(=O)/C=C/C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C14H9BrFNO3S/c15-12-5-2-9(21-12)3-6-13(18)17-11-7-8(16)1-4-10(11)14(19)20/h1-7H,(H,17,18)(H,19,20)/b6-3+