[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C18H24FNO3S MolecularWeight: 353.451463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C18H24FNO3S/c1-13-2-6-15(7-3-13)20-17(21)12-23-18(22)10-11-24-16-8-4-14(19)5-9-16/h4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3,(H,20,21)