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

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H14FN3O3S2 MolecularWeight: 391.439763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)F

InChI

InChI=1S/C17H14FN3O3S2/c1-10-2-3-13(12(18)6-10)21-14(22)7-24-15(23)8-26-17-11-4-5-25-16(11)19-9-20-17/h2-6,9H,7-8H2,1H3,(H,21,22)