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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(m-tolyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-methylphenyl)-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-(3-methylphenyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(m-tolyl)thiazol-4-yl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CS2)CC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)CC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H18N2O6S/c1-13-3-2-4-14(5-13)21-22-17(11-30-21)8-19(24)28-10-16-7-18(23(25)26)6-15-9-27-12-29-20(15)16/h2-7,11H,8-10,12H2,1H3