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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)F)COCO4

InChI

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