[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2,4,5-trimethoxybenzoate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2,4,5-trimethoxybenzoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H20BrNO6S MolecularWeight: 494.3556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C21H20BrNO6S/c1-25-16-6-5-12(22)7-14(16)20-23-13(11-30-20)10-29-21(24)15-8-18(27-3)19(28-4)9-17(15)26-2/h5-9,11H,10H2,1-4H3