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

Systemtic Name: 3-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]benzoic acid Formula: C14H10BrNO3S MolecularWeight: 352.2031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO3S/c15-12-6-4-11(20-12)5-7-13(17)16-10-3-1-2-9(8-10)14(18)19/h1-8H,(H,16,17)(H,18,19)/b7-5+