ethyl 2-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[3-[(2-chlorophenyl)thio]-1-oxopropoxy]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[3-[(2-chlorophenyl)thio]propanoyloxymethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H19ClN2O5S2 MolecularWeight: 466.95826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC(=O)CCSC3=CC=CC=C3Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC(=O)CCSC3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H19ClN2O5S2/c1-3-27-20(26)17-11(2)16-18(25)22-14(23-19(16)30-17)10-28-15(24)8-9-29-13-7-5-4-6-12(13)21/h4-7H,3,8-10H2,1-2H3,(H,22,23,25)