3-(ethylsulfanylmethylamino)-5-methoxy-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

Systemtic Name: 3-(ethylsulfanylmethylamino)-5-methoxy-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one Openeye Name: 3-(ethylsulfanylmethylamino)-5-methoxy-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one CAS Name: 3-[(ethylthio)methylamino]-5-methoxy-2-[3-(trifluoromethyl)phenyl]-1-cyclopent-2-enone IUPAC Name: 3-(ethylsulfanylmethylamino)-5-methoxy-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one Traditional Name: 3-[(ethylthio)methylamino]-5-methoxy-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one Formula: C16H18F3NO2S MolecularWeight: 345.37983

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Descriptors Computed from Structure

Canonical SMILES:

CCSCNC1=C(C(=O)C(C1)OC)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCSCNC1=C(C(=O)C(C1)OC)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H18F3NO2S/c1-3-23-9-20-12-8-13(22-2)15(21)14(12)10-5-4-6-11(7-10)16(17,18)19/h4-7,13,20H,3,8-9H2,1-2H3