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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)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-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H20BrNO4S MolecularWeight: 462.3568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H20BrNO4S/c1-25-17-7-3-14(4-8-17)5-10-20(24)27-12-16-13-28-21(23-16)18-11-15(22)6-9-19(18)26-2/h3-4,6-9,11,13H,5,10,12H2,1-2H3