ethyl 4-(6-ethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(6-ethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(6-ethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[(6-ethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(6-ethyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)CC(=O)OCC

InChI

InChI=1S/C20H20N2O4S2/c1-3-15-11-16-18(28-15)21-20(27-12-14(23)10-17(24)26-4-2)22(19(16)25)13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3