3,4-dihydro-2H-thiochromen-4-yl 2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoate

Systemtic Name: 3,4-dihydro-2H-thiochromen-4-yl 2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoate Openeye Name: thiochroman-4-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate CAS Name: 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid 3,4-dihydro-2H-1-benzothiopyran-4-yl ester IUPAC Name: 3,4-dihydro-2H-thiochromen-4-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate Traditional Name: 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propionic acid thiochroman-4-yl ester Formula: C26H21ClN2O4S MolecularWeight: 492.97394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCSC2=CC=CC=C12)OC3=CC=C(C=C3)OC4=CN=C5C=C(C=CC5=N4)Cl

Isomeric SMILES

CC(C(=O)OC1CCSC2=CC=CC=C12)OC3=CC=C(C=C3)OC4=CN=C5C=C(C=CC5=N4)Cl

InChI

InChI=1S/C26H21ClN2O4S/c1-16(26(30)33-23-12-13-34-24-5-3-2-4-20(23)24)31-18-7-9-19(10-8-18)32-25-15-28-22-14-17(27)6-11-21(22)29-25/h2-11,14-16,23H,12-13H2,1H3