tert-butyl 4-[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H29N3O4S/c1-21(2,3)28-20(27)23-11-9-22(10-12-23)19(26)15-13-18(25)24(14-15)16-5-7-17(29-4)8-6-16/h5-8,15H,9-14H2,1-4H3