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

Systemtic Name: 3-[3-[4-(oxan-2-yloxymethyl)-5-propyl-1,3-thiazol-2-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-oxo-3-[3-[5-propyl-4-(tetrahydropyran-2-yloxymethyl)thiazol-2-yl]phenyl]propanoic acid CAS Name: 3-[3-[4-(2-oxanyloxymethyl)-5-propyl-2-thiazolyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[4-(oxan-2-yloxymethyl)-5-propyl-1,3-thiazol-2-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[5-propyl-4-(tetrahydropyran-2-yloxymethyl)thiazol-2-yl]phenyl]propionic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)C2=CC(=CC=C2)C(=O)CC(=O)O)COC3CCCCO3

Isomeric SMILES

CCCC1=C(N=C(S1)C2=CC(=CC=C2)C(=O)CC(=O)O)COC3CCCCO3

InChI

InChI=1S/C21H25NO5S/c1-2-6-18-16(13-27-20-9-3-4-10-26-20)22-21(28-18)15-8-5-7-14(11-15)17(23)12-19(24)25/h5,7-8,11,20H,2-4,6,9-10,12-13H2,1H3,(H,24,25)