(5-cyclopropyl-1,2-oxazol-4-yl)-(2-ethyl-3-methylsulfonyl-phenyl)methanone; methyl N-fluoranylcarbamate

Systemtic Name: (5-cyclopropyl-1,2-oxazol-4-yl)-(2-ethyl-3-methylsulfonyl-phenyl)methanone; methyl N-fluoranylcarbamate Openeye Name: (5-cyclopropylisoxazol-4-yl)-(2-ethyl-3-methylsulfonyl-phenyl)methanone; methyl N-fluorocarbamate CAS Name: (5-cyclopropyl-4-isoxazolyl)-(2-ethyl-3-methylsulfonylphenyl)methanone; N-fluorocarbamic acid methyl ester IUPAC Name: (5-cyclopropyl-1,2-oxazol-4-yl)-(2-ethyl-3-methylsulfonylphenyl)methanone; methyl N-fluorocarbamate Traditional Name: (5-cyclopropylisoxazol-4-yl)-(2-ethyl-3-mesyl-phenyl)methanone; N-fluorocarbamic acid methyl ester Formula: C18H21FN2O6S MolecularWeight: 412.432543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1S(=O)(=O)C)C(=O)C2=C(ON=C2)C3CC3.COC(=O)NF

Isomeric SMILES

CCC1=C(C=CC=C1S(=O)(=O)C)C(=O)C2=C(ON=C2)C3CC3.COC(=O)NF

InChI

InChI=1S/C16H17NO4S.C2H4FNO2/c1-3-11-12(5-4-6-14(11)22(2,19)20)15(18)13-9-17-21-16(13)10-7-8-10;1-6-2(5)4-3/h4-6,9-10H,3,7-8H2,1-2H3;1H3,(H,4,5)