2-[4-[5-(3-methylquinoxalin-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propanoic acid

Systemtic Name: 2-[4-[5-(3-methylquinoxalin-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propanoic acid Openeye Name: 2-[4-[5-(3-methylquinoxalin-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propanoic acid CAS Name: 2-[4-[5-(3-methyl-2-quinoxalinyl)-1,3,4-thiadiazol-2-yl]phenoxy]propanoic acid IUPAC Name: 2-[4-[5-(3-methylquinoxalin-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propanoic acid Traditional Name: 2-[4-[5-(3-methylquinoxalin-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propionic acid Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C3=NN=C(S3)C4=CC=C(C=C4)OC(C)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C3=NN=C(S3)C4=CC=C(C=C4)OC(C)C(=O)O

InChI

InChI=1S/C20H16N4O3S/c1-11-17(22-16-6-4-3-5-15(16)21-11)19-24-23-18(28-19)13-7-9-14(10-8-13)27-12(2)20(25)26/h3-10,12H,1-2H3,(H,25,26)