ethyl 2-[6-(4-butanoylphenyl)-5-methyl-2,4-bis(oxidanylidene)-1H-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-(4-butanoylphenyl)-5-methyl-2,4-bis(oxidanylidene)-1H-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: ethyl 2-[6-(4-butanoylphenyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-methyl-2,4-dioxo-6-[4-(1-oxobutyl)phenyl]-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-butanoylphenyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[6-(4-butyrylphenyl)-2,4-diketo-5-methyl-1H-thieno[2,3-d]pyrimidin-3-yl]acetic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)C2=C(C3=C(S2)NC(=O)N(C3=O)CC(=O)OCC)C

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)C2=C(C3=C(S2)NC(=O)N(C3=O)CC(=O)OCC)C

InChI

InChI=1S/C21H22N2O5S/c1-4-6-15(24)13-7-9-14(10-8-13)18-12(3)17-19(29-18)22-21(27)23(20(17)26)11-16(25)28-5-2/h7-10H,4-6,11H2,1-3H3,(H,22,27)