ethyl 5-(4-butoxyphenyl)-2-ethyl-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-(4-butoxyphenyl)-2-ethyl-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-(4-butoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(4-butoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-butoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(4-butoxyphenyl)-2-ethyl-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(S3)CC)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(S3)CC)C)C(=O)OCC

InChI

InChI=1S/C22H28N2O4S/c1-5-8-13-28-16-11-9-15(10-12-16)19-18(21(26)27-7-3)14(4)23-22-24(19)20(25)17(6-2)29-22/h9-12,17,19H,5-8,13H2,1-4H3