2-butoxy-2-(5,6-diphenylpyrazin-2-yl)sulfanyl-ethanoic acid

Systemtic Name: 2-butoxy-2-(5,6-diphenylpyrazin-2-yl)sulfanyl-ethanoic acid Openeye Name: 2-butoxy-2-(5,6-diphenylpyrazin-2-yl)sulfanyl-acetic acid CAS Name: 2-butoxy-2-[(5,6-diphenyl-2-pyrazinyl)thio]acetic acid IUPAC Name: 2-butoxy-2-(5,6-diphenylpyrazin-2-yl)sulfanylacetic acid Traditional Name: 2-butoxy-2-[(5,6-diphenylpyrazin-2-yl)thio]acetic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C(=O)O)SC1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(C(=O)O)SC1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-2-3-14-27-22(21(25)26)28-18-15-23-19(16-10-6-4-7-11-16)20(24-18)17-12-8-5-9-13-17/h4-13,15,22H,2-3,14H2,1H3,(H,25,26)