2-[[(E)-3-(1-benzothiophen-6-yl)but-2-enoyl]amino]-4-fluoranyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(1-benzothiophen-6-yl)but-2-enoyl]amino]-4-fluoranyl-benzoic acid Openeye Name: 2-[[(E)-3-(benzothiophen-6-yl)but-2-enoyl]amino]-4-fluoro-benzoic acid CAS Name: 2-[[(E)-3-(1-benzothiophen-6-yl)-1-oxobut-2-enyl]amino]-4-fluorobenzoic acid IUPAC Name: 2-[[(E)-3-(1-benzothiophen-6-yl)but-2-enoyl]amino]-4-fluorobenzoic acid Traditional Name: 2-[[(E)-3-(benzothiophen-6-yl)but-2-enoyl]amino]-4-fluoro-benzoic acid Formula: C19H14FNO3S MolecularWeight: 355.382763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)F)C(=O)O)C2=CC3=C(C=C2)C=CS3

Isomeric SMILES

C/C(=C\C(=O)NC1=C(C=CC(=C1)F)C(=O)O)/C2=CC3=C(C=C2)C=CS3

InChI

InChI=1S/C19H14FNO3S/c1-11(13-3-2-12-6-7-25-17(12)9-13)8-18(22)21-16-10-14(20)4-5-15(16)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)/b11-8+