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

Systemtic Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(3-methoxyphenyl)thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(3-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7S/c1-26-14-6-4-5-12(7-14)19-21-13(11-30-19)10-29-20(23)15-8-17(27-2)18(28-3)9-16(15)22(24)25/h4-9,11H,10H2,1-3H3