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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H16BrNO4S MolecularWeight: 458.32504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CSC(=N3)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CSC(=N3)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C21H16BrNO4S/c1-12-15-5-3-4-6-18(15)27-19(12)21(24)26-10-14-11-28-20(23-14)16-9-13(22)7-8-17(16)25-2/h3-9,11H,10H2,1-2H3