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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C22H22BrNO5S MolecularWeight: 492.38278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H22BrNO5S/c1-26-18-8-6-15(23)11-17(18)22-24-16(13-30-22)12-29-21(25)9-5-14-4-7-19(27-2)20(10-14)28-3/h4,6-8,10-11,13H,5,9,12H2,1-3H3