[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H18N2O6S/c1-12-4-6-13(7-5-12)19-21-14(11-29-19)10-28-20(23)15-8-17(26-2)18(27-3)9-16(15)22(24)25/h4-9,11H,10H2,1-3H3