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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-(2-phenoxyethylsulfanyl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(2-phenoxyethylsulfanyl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(1S)-1-(2-phenoxyethylthio)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(2-phenoxyethylsulfanyl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1S)-1-(2-phenoxyethylthio)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SCCOC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SCCOC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N2O4S2/c1-4-25-20(24)16-12(2)15-18(23)21-17(22-19(15)28-16)13(3)27-11-10-26-14-8-6-5-7-9-14/h5-9,13H,4,10-11H2,1-3H3,(H,21,22,23)/t13-/m0/s1