4-methyl-2-[4-[(3-methyl-4-propan-2-yl-phenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[4-[(3-methyl-4-propan-2-yl-phenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[4-[(4-isopropyl-3-methyl-phenoxy)methyl]phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[4-[(3-methyl-4-propan-2-ylphenoxy)methyl]phenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[4-[(3-methyl-4-propan-2-ylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[4-[(4-isopropyl-3-methyl-phenoxy)methyl]phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C3=NC(=C(S3)C(=O)O)C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C3=NC(=C(S3)C(=O)O)C)C(C)C

InChI

InChI=1S/C22H23NO3S/c1-13(2)19-10-9-18(11-14(19)3)26-12-16-5-7-17(8-6-16)21-23-15(4)20(27-21)22(24)25/h5-11,13H,12H2,1-4H3,(H,24,25)