(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C18H14ClFN2O4S2 MolecularWeight: 440.896163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C18H14ClFN2O4S2/c1-3-25-17(24)15-9(13-11(20)5-4-6-12(13)28-15)8-26-16(23)14-10(19)7-21-18(22-14)27-2/h4-7H,3,8H2,1-2H3