1-[3-oxidanyl-6-[2,2,2-tris(fluoranyl)ethylsulfanylmethyl]-2H-chromen-4-yl]piperidin-2-one

Systemtic Name: 1-[3-oxidanyl-6-[2,2,2-tris(fluoranyl)ethylsulfanylmethyl]-2H-chromen-4-yl]piperidin-2-one Openeye Name: 1-[3-hydroxy-6-(2,2,2-trifluoroethylsulfanylmethyl)-2H-chromen-4-yl]piperidin-2-one CAS Name: 1-[3-hydroxy-6-[(2,2,2-trifluoroethylthio)methyl]-2H-1-benzopyran-4-yl]-2-piperidinone IUPAC Name: 1-[3-hydroxy-6-(2,2,2-trifluoroethylsulfanylmethyl)-2H-chromen-4-yl]piperidin-2-one Traditional Name: 1-[3-hydroxy-6-[(2,2,2-trifluoroethylthio)methyl]-2H-chromen-4-yl]-2-piperidone Formula: C17H18F3NO3S MolecularWeight: 373.38993

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=C(COC3=C2C=C(C=C3)CSCC(F)(F)F)O

Isomeric SMILES

C1CCN(C(=O)C1)C2=C(COC3=C2C=C(C=C3)CSCC(F)(F)F)O

InChI

InChI=1S/C17H18F3NO3S/c18-17(19,20)10-25-9-11-4-5-14-12(7-11)16(13(22)8-24-14)21-6-2-1-3-15(21)23/h4-5,7,22H,1-3,6,8-10H2