2-[2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]phenyl]thiazole-4-carboxylic acid CAS Name: 2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]phenyl]thiazole-4-carboxylic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCOC2=CC=CC=C2C3=NC(=CS3)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCOC2=CC=CC=C2C3=NC(=CS3)C(=O)O)C(C)C

InChI

InChI=1S/C22H23NO4S/c1-14(2)17-9-8-16(12-15(17)3)26-10-11-27-20-7-5-4-6-18(20)21-23-19(13-28-21)22(24)25/h4-9,12-14H,10-11H2,1-3H3,(H,24,25)