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

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-methanoyl-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-3-formyl-2-hydroxy-benzoic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-3-formyl-2-hydroxybenzoic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-formyl-2-hydroxybenzoic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-3-formyl-2-hydroxy-benzoic acid Formula: C21H19NO6S MolecularWeight: 413.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6S/c1-3-27-17-6-5-12(9-18(17)28-4-2)20-22-16(11-29-20)13-7-14(10-23)19(24)15(8-13)21(25)26/h5-11,24H,3-4H2,1-2H3,(H,25,26)