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

Systemtic Name: 3-(3-cyanopropyl)-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxy-benzoic acid Openeye Name: 3-(3-cyanopropyl)-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-methoxy-benzoic acid CAS Name: 3-(3-cyanopropyl)-5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-methoxybenzoic acid IUPAC Name: 3-(3-cyanopropyl)-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxybenzoic acid Traditional Name: 3-(3-cyanopropyl)-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-methoxy-benzoic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C(=C3)CCCC#N)OC)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C(=C3)CCCC#N)OC)C(=O)O)OCC

InChI

InChI=1S/C25H26N2O5S/c1-4-31-21-10-9-17(14-22(21)32-5-2)24-27-20(15-33-24)18-12-16(8-6-7-11-26)23(30-3)19(13-18)25(28)29/h9-10,12-15H,4-8H2,1-3H3,(H,28,29)