[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl] 2-oxidanylidenechromene-6-sulfonate

Systemtic Name: [4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl] 2-oxidanylidenechromene-6-sulfonate Openeye Name: [4-(4-tert-butylthiazol-2-yl)phenyl] 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid [4-(4-tert-butyl-2-thiazolyl)phenyl] ester IUPAC Name: [4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl] 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid [4-(4-tert-butylthiazol-2-yl)phenyl] ester Formula: C22H19NO5S2 MolecularWeight: 441.51996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C22H19NO5S2/c1-22(2,3)19-13-29-21(23-19)14-4-7-16(8-5-14)28-30(25,26)17-9-10-18-15(12-17)6-11-20(24)27-18/h4-13H,1-3H3