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

Systemtic Name: 2-[2-(9H-thioxanthen-9-ylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(9H-thioxanthen-9-ylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2-[[1-oxo-2-(9H-thioxanthen-9-ylthio)ethyl]amino]benzoic acid IUPAC Name: 2-[[2-(9H-thioxanthen-9-ylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(9H-thioxanthen-9-ylthio)acetyl]amino]benzoic acid Formula: C22H17NO3S2 MolecularWeight: 407.50528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)SCC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)SCC(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H17NO3S2/c24-20(23-17-10-4-1-7-14(17)22(25)26)13-27-21-15-8-2-5-11-18(15)28-19-12-6-3-9-16(19)21/h1-12,21H,13H2,(H,23,24)(H,25,26)