2-[2-(4-butylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-2-(2-methylphenoxy)-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-[2-(4-butylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-2-(2-methylphenoxy)-3-oxidanylidene-pentanoic acid Openeye Name: 2-[2-(4-butylphenyl)-4-isopropyl-thiazol-5-yl]-2-(2-methylphenoxy)-3-oxo-pentanoic acid CAS Name: 2-[2-(4-butylphenyl)-4-propan-2-yl-5-thiazolyl]-2-(2-methylphenoxy)-3-oxopentanoic acid IUPAC Name: 2-[2-(4-butylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-2-(2-methylphenoxy)-3-oxopentanoic acid Traditional Name: 2-[2-(4-butylphenyl)-4-isopropyl-thiazol-5-yl]-3-keto-2-(2-methylphenoxy)valeric acid Formula: C28H33NO4S MolecularWeight: 479.63092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC(=C(S2)C(C(=O)CC)(C(=O)O)OC3=CC=CC=C3C)C(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC(=C(S2)C(C(=O)CC)(C(=O)O)OC3=CC=CC=C3C)C(C)C

InChI

InChI=1S/C28H33NO4S/c1-6-8-12-20-14-16-21(17-15-20)26-29-24(18(3)4)25(34-26)28(27(31)32,23(30)7-2)33-22-13-10-9-11-19(22)5/h9-11,13-18H,6-8,12H2,1-5H3,(H,31,32)