(3-fluoranyl-4-methoxy-phenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H18FNO3S2 MolecularWeight: 403.490223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H18FNO3S2/c1-13-11-26-20(22-13)27-12-15-5-3-4-6-16(15)19(23)25-10-14-7-8-18(24-2)17(21)9-14/h3-9,11H,10,12H2,1-2H3