[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoroanilino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(2-fluoroanilino)-2-keto-ethyl] ester Formula: C16H12FN3O3S2 MolecularWeight: 377.413183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)F

InChI

InChI=1S/C16H12FN3O3S2/c17-11-3-1-2-4-12(11)20-13(21)7-23-14(22)8-25-16-10-5-6-24-15(10)18-9-19-16/h1-6,9H,7-8H2,(H,20,21)