2-[[(Z)-3-(1-benzothiophen-3-yl)but-2-enoyl]amino]-5-fluoranyl-benzoic acid

Systemtic Name: 2-[[(Z)-3-(1-benzothiophen-3-yl)but-2-enoyl]amino]-5-fluoranyl-benzoic acid Openeye Name: 2-[[(Z)-3-(benzothiophen-3-yl)but-2-enoyl]amino]-5-fluoro-benzoic acid CAS Name: 2-[[(Z)-3-(1-benzothiophen-3-yl)-1-oxobut-2-enyl]amino]-5-fluorobenzoic acid IUPAC Name: 2-[[(Z)-3-(1-benzothiophen-3-yl)but-2-enoyl]amino]-5-fluorobenzoic acid Traditional Name: 2-[[(Z)-3-(benzothiophen-3-yl)but-2-enoyl]amino]-5-fluoro-benzoic acid Formula: C19H14FNO3S MolecularWeight: 355.382763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=C(C=C1)F)C(=O)O)C2=CSC3=CC=CC=C32

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=C(C=C1)F)C(=O)O)/C2=CSC3=CC=CC=C32

InChI

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