(3-fluoranyl-4-isothiocyanato-5-methyl-phenyl) 4-methylcyclohexane-1-carboxylate

Systemtic Name: (3-fluoranyl-4-isothiocyanato-5-methyl-phenyl) 4-methylcyclohexane-1-carboxylate Openeye Name: (3-fluoro-4-isothiocyanato-5-methyl-phenyl) 4-methylcyclohexanecarboxylate CAS Name: 4-methyl-1-cyclohexanecarboxylic acid (3-fluoro-4-isothiocyanato-5-methylphenyl) ester IUPAC Name: (3-fluoro-4-isothiocyanato-5-methylphenyl) 4-methylcyclohexane-1-carboxylate Traditional Name: 4-methylcyclohexanecarboxylic acid (3-fluoro-4-isothiocyanato-5-methyl-phenyl) ester Formula: C16H18FNO2S MolecularWeight: 307.383023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)OC2=CC(=C(C(=C2)C)N=C=S)F

Isomeric SMILES

CC1CCC(CC1)C(=O)OC2=CC(=C(C(=C2)C)N=C=S)F

InChI

InChI=1S/C16H18FNO2S/c1-10-3-5-12(6-4-10)16(19)20-13-7-11(2)15(18-9-21)14(17)8-13/h7-8,10,12H,3-6H2,1-2H3