tert-butyl 4-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C22H31N3O4S/c1-22(2,3)29-21(28)25-14-12-24(13-15-25)20(27)17-8-4-5-9-18(17)30-16-19(26)23-10-6-7-11-23/h4-5,8-9H,6-7,10-16H2,1-3H3