2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2)C3=NC(=C(S3)C(=O)O)C)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2)C3=NC(=C(S3)C(=O)O)C)OC

InChI

InChI=1S/C21H21NO5S/c1-13-5-4-6-16(11-13)26-9-10-27-17-8-7-15(12-18(17)25-3)20-22-14(2)19(28-20)21(23)24/h4-8,11-12H,9-10H2,1-3H3,(H,23,24)