(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl

InChI

InChI=1S/C17H13ClN2O4S/c18-11-3-1-10(2-4-11)13(21)5-6-15(22)24-9-14-19-12-7-8-25-16(12)17(23)20-14/h1-4,7-8H,5-6,9H2,(H,19,20,23)