2-[4-(4-chlorophenyl)-2-(4-pentanoyloxyphenyl)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)-2-(4-pentanoyloxyphenyl)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-(4-chlorophenyl)-2-(4-pentanoyloxyphenyl)thiazol-5-yl]acetic acid CAS Name: 2-[4-(4-chlorophenyl)-2-[4-(1-oxopentoxy)phenyl]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-(4-chlorophenyl)-2-(4-pentanoyloxyphenyl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-(4-chlorophenyl)-2-(4-valeryloxyphenyl)thiazol-5-yl]acetic acid Formula: C22H20ClNO4S MolecularWeight: 429.9165

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO4S/c1-2-3-4-20(27)28-17-11-7-15(8-12-17)22-24-21(18(29-22)13-19(25)26)14-5-9-16(23)10-6-14/h5-12H,2-4,13H2,1H3,(H,25,26)