S-(1-phenacylpyrrolidin-3-yl) benzenecarbothioate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: S-(1-phenacylpyrrolidin-3-yl) benzenecarbothioate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: S-(1-phenacylpyrrolidin-3-yl) benzenecarbothioate; 2,2,2-trifluoroacetic acid CAS Name: benzenecarbothioic acid S-(1-phenacyl-3-pyrrolidinyl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: S-(1-phenacylpyrrolidin-3-yl) benzenecarbothioate; 2,2,2-trifluoroacetic acid Traditional Name: thiobenzoic acid S-(1-phenacylpyrrolidin-3-yl) ester; 2,2,2-trifluoroacetic acid Formula: C21H20F3NO4S MolecularWeight: 439.44801

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CC1SC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H19NO2S.C2HF3O2/c21-18(15-7-3-1-4-8-15)14-20-12-11-17(13-20)23-19(22)16-9-5-2-6-10-16;3-2(4,5)1(6)7/h1-10,17H,11-14H2;(H,6,7)