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

Systemtic Name: ethyl 5-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(N=C3N2C=CS3)C)C(=O)OCC)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(N=C3N2C=CS3)C)C(=O)OCC)Br)OCC#C

InChI

InChI=1S/C21H21BrN2O4S/c1-5-9-28-19-15(22)11-14(12-16(19)26-6-2)18-17(20(25)27-7-3)13(4)23-21-24(18)8-10-29-21/h1,8,10-12,18H,6-7,9H2,2-4H3