2-acetyloxy-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 2-acetyloxy-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoic acid Openeye Name: 2-acetoxy-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]benzoic acid CAS Name: 2-acetyloxy-5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]benzoic acid IUPAC Name: 2-acetyloxy-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoic acid Traditional Name: 2-acetoxy-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]benzoic acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C=C3)OC(=O)C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C=C3)OC(=O)C)C(=O)O)OCC

InChI

InChI=1S/C22H21NO6S/c1-4-27-19-9-7-15(11-20(19)28-5-2)21-23-17(12-30-21)14-6-8-18(29-13(3)24)16(10-14)22(25)26/h6-12H,4-5H2,1-3H3,(H,25,26)