S-(1-benzothiophen-2-ylmethyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate

Systemtic Name: S-(1-benzothiophen-2-ylmethyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: S-(benzothiophen-2-ylmethyl) 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioic acid S-(1-benzothiophen-2-ylmethyl) ester IUPAC Name: S-(1-benzothiophen-2-ylmethyl) 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioic acid S-(benzothiophen-2-ylmethyl) ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)SCC2=CC3=CC=CC=C3S2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)SCC2=CC3=CC=CC=C3S2

InChI

InChI=1S/C21H25NO3S2/c1-4-21(2,3)18(23)19(24)22-11-7-9-16(22)20(25)26-13-15-12-14-8-5-6-10-17(14)27-15/h5-6,8,10,12,16H,4,7,9,11,13H2,1-3H3