tert-butyl 1-[2-[[1-ethoxy-1-oxidanylidene-3-(2-phenylsulfanylethylsulfanyl)propan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[[1-ethoxy-1-oxidanylidene-3-(2-phenylsulfanylethylsulfanyl)propan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-[[2-ethoxy-2-oxo-1-(2-phenylsulfanylethylsulfanylmethyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[1-ethoxy-1-oxo-3-[2-(phenylthio)ethylthio]propan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[[1-ethoxy-1-oxo-3-(2-phenylsulfanylethylsulfanyl)propan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[2-ethoxy-2-keto-1-[[2-(phenylthio)ethylthio]methyl]ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C25H38N2O5S2 MolecularWeight: 510.70962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCCSC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CSCCSC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)OC(C)(C)C

InChI

InChI=1S/C25H38N2O5S2/c1-6-31-23(29)20(17-33-15-16-34-19-11-8-7-9-12-19)26-18(2)22(28)27-14-10-13-21(27)24(30)32-25(3,4)5/h7-9,11-12,18,20-21,26H,6,10,13-17H2,1-5H3