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

Systemtic Name: 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-methoxy-benzoic acid Openeye Name: 3-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-methoxy-benzoic acid CAS Name: 3-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-4-methoxybenzoic acid IUPAC Name: 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-methoxybenzoic acid Traditional Name: 3-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-methoxy-benzoic acid Formula: C21H21NO5S MolecularWeight: 399.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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