ethyl 5-(2-bromanyl-4-butoxy-5-methoxy-phenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-(2-bromanyl-4-butoxy-5-methoxy-phenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-(2-bromo-4-butoxy-5-methoxy-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(2-bromo-4-butoxy-5-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-bromo-4-butoxy-5-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(2-bromo-4-butoxy-5-methoxy-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)Br)C2C(=C(N=C3N2C=CS3)C)C(=O)OCC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)Br)C2C(=C(N=C3N2C=CS3)C)C(=O)OCC)OC

InChI

InChI=1S/C21H25BrN2O4S/c1-5-7-9-28-17-12-15(22)14(11-16(17)26-4)19-18(20(25)27-6-2)13(3)23-21-24(19)8-10-29-21/h8,10-12,19H,5-7,9H2,1-4H3