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

Systemtic Name: ethyl 3-oxidanylidene-4-(4-oxidanylidene-3-phenethyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-butanoate Openeye Name: ethyl 3-oxo-4-(4-oxo-3-phenethyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-butanoate CAS Name: 3-oxo-4-[(4-oxo-3-phenethyl-2-thieno[3,2-d]pyrimidinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-(4-oxo-3-phenethylthieno[3,2-d]pyrimidin-2-yl)sulfanylbutanoate Traditional Name: 3-keto-4-[(4-keto-3-phenethyl-thieno[3,2-d]pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)SC=C2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)SC=C2

InChI

InChI=1S/C20H20N2O4S2/c1-2-26-17(24)12-15(23)13-28-20-21-16-9-11-27-18(16)19(25)22(20)10-8-14-6-4-3-5-7-14/h3-7,9,11H,2,8,10,12-13H2,1H3