(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18FNO4S2 MolecularWeight: 431.500323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C21H18FNO4S2/c1-13-23-18(10-28-13)11-29-19-4-2-14(3-5-19)21(24)26-9-16-7-17(22)6-15-8-25-12-27-20(15)16/h2-7,10H,8-9,11-12H2,1H3