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

Systemtic Name: methyl 5-(5-bromanyl-2-oxidanyl-phenyl)-7-methyl-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: methyl 5-(5-bromo-2-hydroxy-phenyl)-7-methyl-3-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(5-bromo-2-hydroxyphenyl)-7-methyl-3-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(5-bromo-2-hydroxyphenyl)-7-methyl-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(5-bromo-2-hydroxy-phenyl)-7-methyl-3-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=CSC2=N1)C3=CC=CC=C3)C4=C(C=CC(=C4)Br)O)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=CSC2=N1)C3=CC=CC=C3)C4=C(C=CC(=C4)Br)O)C(=O)OC

InChI

InChI=1S/C21H17BrN2O3S/c1-12-18(20(26)27-2)19(15-10-14(22)8-9-17(15)25)24-16(11-28-21(24)23-12)13-6-4-3-5-7-13/h3-11,19,25H,1-2H3