methyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-pyrrolidine-3-carboxylate Openeye Name: methyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-thioxo-pyrrolidine-3-carboxylate CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidenepyrrolidine-3-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-thioxo-pyrrolidine-3-carboxylic acid methyl ester Formula: C14H11F6NO2S MolecularWeight: 371.298059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=S)N(C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1CC(=S)N(C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C14H11F6NO2S/c1-23-12(22)7-2-11(24)21(6-7)10-4-8(13(15,16)17)3-9(5-10)14(18,19)20/h3-5,7H,2,6H2,1H3