O-(2,3-dimethylquinoxalin-6-yl) 3-phenylpyrrolidine-1-carbothioate

Systemtic Name: O-(2,3-dimethylquinoxalin-6-yl) 3-phenylpyrrolidine-1-carbothioate Openeye Name: O-(2,3-dimethylquinoxalin-6-yl) 3-phenylpyrrolidine-1-carbothioate CAS Name: 3-phenyl-1-pyrrolidinecarbothioic acid O-(2,3-dimethyl-6-quinoxalinyl) ester IUPAC Name: O-(2,3-dimethylquinoxalin-6-yl) 3-phenylpyrrolidine-1-carbothioate Traditional Name: 3-phenylpyrrolidine-1-carbothioic acid O-(2,3-dimethylquinoxalin-6-yl) ester Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC(=S)N3CCC(C3)C4=CC=CC=C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC(=S)N3CCC(C3)C4=CC=CC=C4)N=C1C

InChI

InChI=1S/C21H21N3OS/c1-14-15(2)23-20-12-18(8-9-19(20)22-14)25-21(26)24-11-10-17(13-24)16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3