thian-3-yl 2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoate

Systemtic Name: thian-3-yl 2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoate Openeye Name: tetrahydrothiopyran-3-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate CAS Name: 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid 3-thianyl ester IUPAC Name: thian-3-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate Traditional Name: 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propionic acid tetrahydrothiopyran-3-yl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCCSC1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl

Isomeric SMILES

CC(C(=O)OC1CCCSC1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-14(22(26)29-18-3-2-10-30-13-18)27-16-5-7-17(8-6-16)28-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3