3-[2-(9H-xanthen-9-ylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(9H-xanthen-9-ylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(9H-xanthen-9-ylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-(9H-xanthen-9-ylthio)ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(9H-xanthen-9-ylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(9H-xanthen-9-ylthio)acetyl]amino]benzoic acid Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)SCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)SCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H17NO4S/c24-20(23-15-7-5-6-14(12-15)22(25)26)13-28-21-16-8-1-3-10-18(16)27-19-11-4-2-9-17(19)21/h1-12,21H,13H2,(H,23,24)(H,25,26)