tert-butyl 2-(4-carbamothioyl-2-oxidanylidene-pyrrolidin-1-yl)butanoate

Systemtic Name: tert-butyl 2-(4-carbamothioyl-2-oxidanylidene-pyrrolidin-1-yl)butanoate Openeye Name: tert-butyl 2-(4-carbamothioyl-2-oxo-pyrrolidin-1-yl)butanoate CAS Name: 2-(4-carbamothioyl-2-oxo-1-pyrrolidinyl)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-carbamothioyl-2-oxopyrrolidin-1-yl)butanoate Traditional Name: 2-(2-keto-4-thiocarbamoyl-pyrrolidino)butyric acid tert-butyl ester Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)(C)C)N1CC(CC1=O)C(=S)N

Isomeric SMILES

CCC(C(=O)OC(C)(C)C)N1CC(CC1=O)C(=S)N

InChI

InChI=1S/C13H22N2O3S/c1-5-9(12(17)18-13(2,3)4)15-7-8(11(14)19)6-10(15)16/h8-9H,5-7H2,1-4H3,(H2,14,19)