(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-fluoranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-fluoranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-fluorophenoxy)methyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-5-thiazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-thiazole-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H17FN2O7S MolecularWeight: 460.432283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H17FN2O7S/c1-12-20(32-18(23-12)10-29-17-4-2-15(22)3-5-17)21(25)30-9-14-7-16(24(26)27)6-13-8-28-11-31-19(13)14/h2-7H,8-11H2,1H3