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

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-ethenyl-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-hydroxy-3-vinyl-benzoic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-3-ethenyl-2-hydroxybenzoic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-ethenyl-2-hydroxybenzoic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-hydroxy-3-vinyl-benzoic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S/c1-4-13-9-15(10-16(20(13)24)22(25)26)17-12-29-21(23-17)14-7-8-18(27-5-2)19(11-14)28-6-3/h4,7-12,24H,1,5-6H2,2-3H3,(H,25,26)