methyl 3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-4-fluoro-benzoate CAS Name: 3-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-4-fluorobenzoate Traditional Name: 3-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-4-fluoro-benzoic acid methyl ester Formula: C18H20FN3O3S MolecularWeight: 377.433103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)F

InChI

InChI=1S/C18H20FN3O3S/c1-10-13(11(2)21-18(20-10)26-4)6-8-16(23)22-15-9-12(17(24)25-3)5-7-14(15)19/h5,7,9H,6,8H2,1-4H3,(H,22,23)