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

Systemtic Name: ethyl 5-(3-bromanyl-4-prop-2-ynoxy-phenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-(3-bromo-4-prop-2-ynoxy-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(3-bromo-4-prop-2-ynoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-bromo-4-prop-2-ynoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(3-bromo-4-propargyloxy-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OCC#C)Br)C=CS2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OCC#C)Br)C=CS2)C

InChI

InChI=1S/C19H17BrN2O3S/c1-4-9-25-15-7-6-13(11-14(15)20)17-16(18(23)24-5-2)12(3)21-19-22(17)8-10-26-19/h1,6-8,10-11,17H,5,9H2,2-3H3