(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-methyl-4-(p-tolyl)thiazol-5-yl]acetate CAS Name: 2-[2-methyl-4-(4-methylphenyl)-5-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-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-methyl-4-(p-tolyl)thiazol-5-yl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H20N2O6S/c1-13-3-5-15(6-4-13)21-19(31-14(2)23-21)9-20(25)29-11-17-8-18(24(26)27)7-16-10-28-12-30-22(16)17/h3-8H,9-12H2,1-2H3