2-[2-(3,4-dimethoxyphenyl)-1,3-dihydroinden-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-dihydroinden-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)indan-2-yl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-dihydroinden-2-yl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-dihydroinden-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-(3,4-dimethoxyphenyl)indan-2-yl]-4-methyl-thiazole-5-carboxylic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2(CC3=CC=CC=C3C2)C4=CC(=C(C=C4)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2(CC3=CC=CC=C3C2)C4=CC(=C(C=C4)OC)OC)C(=O)O

InChI

InChI=1S/C22H21NO4S/c1-13-19(20(24)25)28-21(23-13)22(11-14-6-4-5-7-15(14)12-22)16-8-9-17(26-2)18(10-16)27-3/h4-10H,11-12H2,1-3H3,(H,24,25)