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

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-2H-1,3-thiazol-3-yl]-3-(2-hydroxyethyl)-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)-2H-thiazol-3-yl]-2-hydroxy-3-(2-hydroxyethyl)benzoic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-2H-thiazol-3-yl]-2-hydroxy-3-(2-hydroxyethyl)benzoic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-2H-1,3-thiazol-3-yl]-2-hydroxy-3-(2-hydroxyethyl)benzoic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolin-3-yl]-2-hydroxy-3-(2-hydroxyethyl)benzoic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2N(C=CS2)C3=CC(=C(C(=C3)C(=O)O)O)CCO)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2N(C=CS2)C3=CC(=C(C(=C3)C(=O)O)O)CCO)OCC

InChI

InChI=1S/C22H25NO6S/c1-3-28-18-6-5-15(12-19(18)29-4-2)21-23(8-10-30-21)16-11-14(7-9-24)20(25)17(13-16)22(26)27/h5-6,8,10-13,21,24-25H,3-4,7,9H2,1-2H3,(H,26,27)