2-[3-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate

Systemtic Name: 2-[3-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: 2-[3-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: 2-[3-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioate IUPAC Name: 2-[3-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: 2-[3-(2-chlorophenyl)propyl]-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioate Formula: C21H27ClNO3S- MolecularWeight: 408.96198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1(CCCC2=CC=CC=C2Cl)C(=S)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1(CCCC2=CC=CC=C2Cl)C(=S)[O-]

InChI

InChI=1S/C21H28ClNO3S/c1-4-20(2,3)17(24)18(25)23-14-8-13-21(23,19(26)27)12-7-10-15-9-5-6-11-16(15)22/h5-6,9,11H,4,7-8,10,12-14H2,1-3H3,(H,26,27)/p-1