O-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)pyrrolidine-2-carbothioate

Systemtic Name: O-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)pyrrolidine-2-carbothioate Openeye Name: O-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxo-butanoyl)pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxobutyl)-2-pyrrolidinecarbothioic acid O-(4-phenylbutyl) ester IUPAC Name: O-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxobutanoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-butanoyl)pyrrolidine-2-carbothioic acid O-(4-phenylbutyl) ester Formula: C21H29NO3S MolecularWeight: 375.52486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCCCCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO3S/c1-21(2,3)18(23)19(24)22-14-9-13-17(22)20(26)25-15-8-7-12-16-10-5-4-6-11-16/h4-6,10-11,17H,7-9,12-15H2,1-3H3