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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C21H20N2O8S/c1-27-16-6-5-12(7-17(16)28-2)20-22-13(11-32-20)10-31-21(24)14-8-18(29-3)19(30-4)9-15(14)23(25)26/h5-9,11H,10H2,1-4H3