ethyl 2-[4-[5-(3-methylquinoxalin-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propanoate

Systemtic Name: ethyl 2-[4-[5-(3-methylquinoxalin-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propanoate Openeye Name: ethyl 2-[4-[5-(3-methylquinoxalin-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propanoate CAS Name: 2-[4-[5-(3-methyl-2-quinoxalinyl)-1,3,4-thiadiazol-2-yl]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[5-(3-methylquinoxalin-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propanoate Traditional Name: 2-[4-[5-(3-methylquinoxalin-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propionic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=C(C=C1)C2=NN=C(S2)C3=NC4=CC=CC=C4N=C3C

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)C2=NN=C(S2)C3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C22H20N4O3S/c1-4-28-22(27)14(3)29-16-11-9-15(10-12-16)20-25-26-21(30-20)19-13(2)23-17-7-5-6-8-18(17)24-19/h5-12,14H,4H2,1-3H3