3-[2-[[(9S)-2-fluoranyl-9H-xanthen-9-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[[(9S)-2-fluoranyl-9H-xanthen-9-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[[(9S)-2-fluoro-9H-xanthen-9-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[(9S)-2-fluoro-9H-xanthen-9-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[[(9S)-2-fluoro-9H-xanthen-9-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[(9S)-2-fluoro-9H-xanthen-9-yl]thio]acetyl]amino]benzoate Formula: C22H15FNO4S- MolecularWeight: 408.422203

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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@@H](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)/p-1/t21-/m0/s1