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

Systemtic Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-(2-methoxyphenyl)thiazol-4-yl]methyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [2-(2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [2-(2-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H20BrNO5S MolecularWeight: 478.3562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C21H20BrNO5S/c1-4-27-19-16(22)9-13(10-18(19)26-3)21(24)28-11-14-12-29-20(23-14)15-7-5-6-8-17(15)25-2/h5-10,12H,4,11H2,1-3H3