2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]thiazole-4-carboxylic acid CAS Name: 2-[1-(3,4-dimethoxyphenyl)-2-phenylcyclopropyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)-2-phenylcyclopropyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]thiazole-4-carboxylic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC2C3=CC=CC=C3)C4=NC(=CS4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC2C3=CC=CC=C3)C4=NC(=CS4)C(=O)O)OC

InChI

InChI=1S/C21H19NO4S/c1-25-17-9-8-14(10-18(17)26-2)21(20-22-16(12-27-20)19(23)24)11-15(21)13-6-4-3-5-7-13/h3-10,12,15H,11H2,1-2H3,(H,23,24)