2-phenoxathiin-2-ylquinoline-4-carboxylic acid

Systemtic Name: 2-phenoxathiin-2-ylquinoline-4-carboxylic acid Openeye Name: 2-phenoxathiin-2-ylquinoline-4-carboxylic acid CAS Name: 2-(2-phenoxathiinyl)-4-quinolinecarboxylic acid IUPAC Name: 2-phenoxathiin-2-ylquinoline-4-carboxylic acid Traditional Name: 2-phenoxathiin-2-ylcinchoninic acid Formula: C22H13NO3S MolecularWeight: 371.40852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C22H13NO3S/c24-22(25)15-12-17(23-16-6-2-1-5-14(15)16)13-9-10-19-21(11-13)27-20-8-4-3-7-18(20)26-19/h1-12H,(H,24,25)