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

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-hydroxy-3-methyl-benzoic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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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)C(=O)O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-4-26-17-7-6-13(10-18(17)27-5-2)20-22-16(11-28-20)14-8-12(3)19(23)15(9-14)21(24)25/h6-11,23H,4-5H2,1-3H3,(H,24,25)