(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methyl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methyl-1,3-thiazol-4-yl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methylthiazol-4-yl)acetate CAS Name: 2-(2-methyl-4-thiazolyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate Traditional Name: 2-(2-methylthiazol-4-yl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=NC(=CS1)CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C15H14N2O6S/c1-9-16-12(7-24-9)4-14(18)22-6-11-3-13(17(19)20)2-10-5-21-8-23-15(10)11/h2-3,7H,4-6,8H2,1H3