methyl 4-fluoranyl-3-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Openeye Name: methyl 4-fluoro-3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate CAS Name: 4-fluoro-3-[[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Traditional Name: 4-fluoro-3-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoic acid methyl ester Formula: C17H14FN3O4S MolecularWeight: 375.374163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C17H14FN3O4S/c1-25-17(24)10-2-3-12(18)13(8-10)20-14(22)4-6-21-9-19-15-11(16(21)23)5-7-26-15/h2-3,5,7-9H,4,6H2,1H3,(H,20,22)