thian-4-yl 2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoate

Systemtic Name: thian-4-yl 2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoate Openeye Name: tetrahydrothiopyran-4-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate CAS Name: 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid 4-thianyl ester IUPAC Name: thian-4-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate Traditional Name: 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propionic acid tetrahydrothiopyran-4-yl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCSCC1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl

Isomeric SMILES

CC(C(=O)OC1CCSCC1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-14(22(26)29-18-8-10-30-11-9-18)27-16-3-5-17(6-4-16)28-21-13-24-20-12-15(23)2-7-19(20)25-21/h2-7,12-14,18H,8-11H2,1H3