5-(ethylsulfanylmethylamino)-2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]furan-3-one

Systemtic Name: 5-(ethylsulfanylmethylamino)-2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]furan-3-one Openeye Name: 5-(ethylsulfanylmethylamino)-2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]furan-3-one CAS Name: 5-[(ethylthio)methylamino]-2-(3-pyrrolidinyl)-4-[3-(trifluoromethyl)phenyl]-3-furanone IUPAC Name: 5-(ethylsulfanylmethylamino)-2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]furan-3-one Traditional Name: 5-[(ethylthio)methylamino]-2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]furan-3-one Formula: C18H21F3N2O2S MolecularWeight: 386.43175

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Descriptors Computed from Structure

Canonical SMILES:

CCSCNC1=C(C(=O)C(O1)C2CCNC2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCSCNC1=C(C(=O)C(O1)C2CCNC2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H21F3N2O2S/c1-2-26-10-23-17-14(11-4-3-5-13(8-11)18(19,20)21)15(24)16(25-17)12-6-7-22-9-12/h3-5,8,12,16,22-23H,2,6-7,9-10H2,1H3