3-[2-[(2-fluoranyl-9H-xanthen-9-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(2-fluoranyl-9H-xanthen-9-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(2-fluoro-9H-xanthen-9-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(2-fluoro-9H-xanthen-9-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(2-fluoro-9H-xanthen-9-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(2-fluoro-9H-xanthen-9-yl)thio]acetyl]amino]benzoic acid Formula: C22H16FNO4S MolecularWeight: 409.430143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)F)SCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)F)SCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H16FNO4S/c23-14-8-9-19-17(11-14)21(16-6-1-2-7-18(16)28-19)29-12-20(25)24-15-5-3-4-13(10-15)22(26)27/h1-11,21H,12H2,(H,24,25)(H,26,27)