[1-(6-ethylsulfanyl-8-fluoranyl-naphthalen-1-yl)-4-oxidanylidene-cyclohexyl]methyl propanoate

Systemtic Name: [1-(6-ethylsulfanyl-8-fluoranyl-naphthalen-1-yl)-4-oxidanylidene-cyclohexyl]methyl propanoate Openeye Name: [1-(6-ethylsulfanyl-8-fluoro-1-naphthyl)-4-oxo-cyclohexyl]methyl propanoate CAS Name: propanoic acid [1-[6-(ethylthio)-8-fluoro-1-naphthalenyl]-4-oxocyclohexyl]methyl ester IUPAC Name: [1-(6-ethylsulfanyl-8-fluoronaphthalen-1-yl)-4-oxocyclohexyl]methyl propanoate Traditional Name: propionic acid [1-[6-(ethylthio)-8-fluoro-1-naphthyl]-4-keto-cyclohexyl]methyl ester Formula: C22H25FO3S MolecularWeight: 388.495503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1(CCC(=O)CC1)C2=CC=CC3=CC(=CC(=C32)F)SCC

Isomeric SMILES

CCC(=O)OCC1(CCC(=O)CC1)C2=CC=CC3=CC(=CC(=C32)F)SCC

InChI

InChI=1S/C22H25FO3S/c1-3-20(25)26-14-22(10-8-16(24)9-11-22)18-7-5-6-15-12-17(27-4-2)13-19(23)21(15)18/h5-7,12-13H,3-4,8-11,14H2,1-2H3