ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-(3-phenylpropanoyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-(3-phenylpropanoyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(3-phenylpropanoyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(1S)-1-(1-oxo-3-phenylpropoxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(3-phenylpropanoyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-hydrocinnamoyloxyethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)OC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)OC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O5S/c1-4-27-21(26)17-12(2)16-19(25)22-18(23-20(16)29-17)13(3)28-15(24)11-10-14-8-6-5-7-9-14/h5-9,13H,4,10-11H2,1-3H3,(H,22,23,25)/t13-/m0/s1