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

Systemtic Name: ethyl 5-methyl-2-[(1S)-1-(3-methyl-2-oxidanyl-phenyl)carbonyloxyethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(2-hydroxy-3-methyl-benzoyl)oxyethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-[(2-hydroxy-3-methylphenyl)-oxomethoxy]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(2-hydroxy-3-methylbenzoyl)oxyethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-(2-hydroxy-3-methyl-benzoyl)oxyethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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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)C3=C(C(=CC=C3)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c1-5-27-20(26)15-10(3)13-17(24)21-16(22-18(13)29-15)11(4)28-19(25)12-8-6-7-9(2)14(12)23/h6-8,11,23H,5H2,1-4H3,(H,21,22,24)/t11-/m0/s1