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

Systemtic Name: 2-[3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]phenyl]thiazole-4-carboxylic acid CAS Name: 2-[3-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-[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(=C2)C3=NC(=CS3)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCOC2=CC=CC(=C2)C3=NC(=CS3)C(=O)O)C(C)C

InChI

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