2-[[4,5-bis(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4,5-bis(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[4,5-bis(4-methylsulfanylphenyl)oxazol-2-yl]sulfanylacetic acid CAS Name: 2-[[4,5-bis[4-(methylthio)phenyl]-2-oxazolyl]thio]acetic acid IUPAC Name: 2-[[4,5-bis(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4,5-bis[4-(methylthio)phenyl]oxazol-2-yl]thio]acetic acid Formula: C19H17NO3S3 MolecularWeight: 403.53818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(OC(=N2)SCC(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C19H17NO3S3/c1-24-14-7-3-12(4-8-14)17-18(13-5-9-15(25-2)10-6-13)23-19(20-17)26-11-16(21)22/h3-10H,11H2,1-2H3,(H,21,22)