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

Systemtic Name: ethyl 5-(3-ethoxy-4-prop-2-ynoxy-phenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-(3-ethoxy-4-prop-2-ynoxy-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(3-ethoxy-4-prop-2-ynoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-ethoxy-4-prop-2-ynoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(3-ethoxy-4-propargyloxy-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-5-11-27-16-9-8-15(13-17(16)25-6-2)19-18(20(24)26-7-3)14(4)22-21-23(19)10-12-28-21/h1,8-10,12-13,19H,6-7,11H2,2-4H3