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

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxy-3-(propan-2-yloxymethyl)benzoic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-3-(isopropoxymethyl)-2-methoxy-benzoic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-methoxy-3-(propan-2-yloxymethyl)benzoic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxy-3-(propan-2-yloxymethyl)benzoic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-3-(isopropoxymethyl)-2-methoxy-benzoic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO6S/c1-6-30-21-9-8-16(12-22(21)31-7-2)24-26-20(14-33-24)17-10-18(13-32-15(3)4)23(29-5)19(11-17)25(27)28/h8-12,14-15H,6-7,13H2,1-5H3,(H,27,28)