3-[3-[5-(oxan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[5-(oxan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-oxo-3-[3-[5-(tetrahydropyran-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]phenyl]propanoic acid CAS Name: 3-[3-[5-(2-oxanyloxymethyl)-1,3,4-thiadiazol-2-yl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[5-(oxan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[5-(tetrahydropyran-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]phenyl]propionic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=NN=C(S2)C3=CC(=CC=C3)C(=O)CC(=O)O

Isomeric SMILES

C1CCOC(C1)OCC2=NN=C(S2)C3=CC(=CC=C3)C(=O)CC(=O)O

InChI

InChI=1S/C17H18N2O5S/c20-13(9-15(21)22)11-4-3-5-12(8-11)17-19-18-14(25-17)10-24-16-6-1-2-7-23-16/h3-5,8,16H,1-2,6-7,9-10H2,(H,21,22)