2-(4,5-dinaphthalen-1-yl-1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid

Systemtic Name: 2-(4,5-dinaphthalen-1-yl-1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid Openeye Name: 2-[4,5-bis(1-naphthyl)oxazol-2-yl]-2-sulfanyl-acetic acid CAS Name: 2-[4,5-bis(1-naphthalenyl)-2-oxazolyl]-2-mercaptoacetic acid IUPAC Name: 2-(4,5-dinaphthalen-1-yl-1,3-oxazol-2-yl)-2-sulfanylacetic acid Traditional Name: 2-[4,5-bis(1-naphthyl)oxazol-2-yl]-2-mercapto-acetic acid Formula: C25H17NO3S MolecularWeight: 411.47238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=C(OC(=N3)C(C(=O)O)S)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C(OC(=N3)C(C(=O)O)S)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H17NO3S/c27-25(28)23(30)24-26-21(19-13-5-9-15-7-1-3-11-17(15)19)22(29-24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,23,30H,(H,27,28)