tert-butyl 2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]-4-thiophen-2-ylsulfanyl-butanoate

Systemtic Name: tert-butyl 2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]-4-thiophen-2-ylsulfanyl-butanoate Openeye Name: tert-butyl 2-(3-isobutyl-2-oxo-1-phenethyl-pyrrolidin-3-yl)-4-(2-thienylsulfanyl)butanoate CAS Name: 2-[3-(2-methylpropyl)-2-oxo-1-phenethyl-3-pyrrolidinyl]-4-(thiophen-2-ylthio)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(2-methylpropyl)-2-oxo-1-phenethylpyrrolidin-3-yl]-4-thiophen-2-ylsulfanylbutanoate Traditional Name: 2-(3-isobutyl-2-keto-1-phenethyl-pyrrolidin-3-yl)-4-(2-thienylthio)butyric acid tert-butyl ester Formula: C28H39NO3S2 MolecularWeight: 501.74416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(CCSC3=CC=CS3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(CCSC3=CC=CS3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H39NO3S2/c1-21(2)20-28(15-17-29(26(28)31)16-13-22-10-7-6-8-11-22)23(25(30)32-27(3,4)5)14-19-34-24-12-9-18-33-24/h6-12,18,21,23H,13-17,19-20H2,1-5H3