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

Systemtic Name: ethyl 2-[(1R)-1-(4-ethylphenyl)carbonyloxyethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1R)-1-(4-ethylbenzoyl)oxyethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1R)-1-[(4-ethylphenyl)-oxomethoxy]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1R)-1-(4-ethylbenzoyl)oxyethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1R)-1-(4-ethylbenzoyl)oxyethyl]-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:

CCC1=CC=C(C=C1)C(=O)OC(C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)O[C@H](C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

InChI

InChI=1S/C21H22N2O5S/c1-5-13-7-9-14(10-8-13)20(25)28-12(4)17-22-18(24)15-11(3)16(21(26)27-6-2)29-19(15)23-17/h7-10,12H,5-6H2,1-4H3,(H,22,23,24)/t12-/m1/s1