4-[2-(9H-thioxanthen-9-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(9H-thioxanthen-9-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(9H-thioxanthen-9-yl)acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-(9H-thioxanthen-9-yl)ethyl]amino]benzoic acid IUPAC Name: 4-[[2-(9H-thioxanthen-9-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(9H-thioxanthen-9-yl)acetyl]amino]benzoic acid Formula: C22H17NO3S MolecularWeight: 375.44028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17NO3S/c24-21(23-15-11-9-14(10-12-15)22(25)26)13-18-16-5-1-3-7-19(16)27-20-8-4-2-6-17(18)20/h1-12,18H,13H2,(H,23,24)(H,25,26)