[1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-pyrrolidin-3-yl] hydrogen carbonate

Systemtic Name: [1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-pyrrolidin-3-yl] hydrogen carbonate Openeye Name: [1-[3,5-bis(trifluoromethyl)phenyl]-5-thioxo-pyrrolidin-3-yl] hydrogen carbonate CAS Name: carbonic acid [1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-3-pyrrolidinyl] ester IUPAC Name: [1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidenepyrrolidin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-[3,5-bis(trifluoromethyl)phenyl]-5-thioxo-pyrrolidin-3-yl] ester Formula: C13H9F6NO3S MolecularWeight: 373.270879

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=S)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OC(=O)O

Isomeric SMILES

C1C(CN(C1=S)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OC(=O)O

InChI

InChI=1S/C13H9F6NO3S/c14-12(15,16)6-1-7(13(17,18)19)3-8(2-6)20-5-9(4-10(20)24)23-11(21)22/h1-3,9H,4-5H2,(H,21,22)