ethyl 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H25FN2O5S2 MolecularWeight: 540.626203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4=C5C(=CC(=C4)F)COCO5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4=C5C(=CC(=C4)F)COCO5)C

InChI

InChI=1S/C27H25FN2O5S2/c1-3-34-26(32)23-16(2)21-24(37-23)29-27(30(25(21)31)10-9-17-7-5-4-6-8-17)36-14-19-12-20(28)11-18-13-33-15-35-22(18)19/h4-8,11-12H,3,9-10,13-15H2,1-2H3