(2-fluorophenyl)methyl 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate

Systemtic Name: (2-fluorophenyl)methyl 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Openeye Name: (2-fluorophenyl)methyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propanoate CAS Name: 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Traditional Name: 3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propionic acid (2-fluorobenzyl) ester Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)OCC4=CC=CC=C4F

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)OCC4=CC=CC=C4F

InChI

InChI=1S/C20H19FN2O3S/c21-14-7-3-1-5-12(14)11-26-17(24)10-9-16-22-19(25)18-13-6-2-4-8-15(13)27-20(18)23-16/h1,3,5,7H,2,4,6,8-11H2,(H,22,23,25)