ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxidanylidene-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxidanylidene-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-2-phenacylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-2-(phenacylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-2-phenacylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-homoveratryl-4-keto-5-methyl-2-(phenacylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C28H28N2O6S2 MolecularWeight: 552.66172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC(=C(C=C3)OC)OC)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC(=C(C=C3)OC)OC)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C28H28N2O6S2/c1-5-36-27(33)24-17(2)23-25(38-24)29-28(37-16-20(31)19-9-7-6-8-10-19)30(26(23)32)14-13-18-11-12-21(34-3)22(15-18)35-4/h6-12,15H,5,13-14,16H2,1-4H3