[2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] N-tert-butylcarbamate

Systemtic Name: [2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] N-tert-butylcarbamate Openeye Name: [2-thioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl] ester IUPAC Name: [2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [2-thioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] ester Formula: C16H19F3N2O2S MolecularWeight: 360.39447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)OC1CCN(C1=S)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)OC1CCN(C1=S)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O2S/c1-15(2,3)20-14(22)23-12-7-8-21(13(12)24)11-6-4-5-10(9-11)16(17,18)19/h4-6,9,12H,7-8H2,1-3H3,(H,20,22)