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

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-ethyl-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-3-ethyl-2-hydroxy-benzoic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-3-ethyl-2-hydroxybenzoic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-ethyl-2-hydroxybenzoic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-3-ethyl-2-hydroxy-benzoic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1O)C(=O)O)C2=CSC(=N2)C3=CC(=C(C=C3)OCC)OCC

Isomeric SMILES

CCC1=CC(=CC(=C1O)C(=O)O)C2=CSC(=N2)C3=CC(=C(C=C3)OCC)OCC

InChI

InChI=1S/C22H23NO5S/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/h7-12,24H,4-6H2,1-3H3,(H,25,26)