[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2R,3S)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2R,3S)-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (2R,3S)-5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: (2R,3S)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R,3S)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: (2R,3S)-5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC(=O)NC(=O)NC(C)(C)C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@H](CC2=O)C(=O)OCC(=O)NC(=O)NC(C)(C)C)C3=CC=CS3

InChI

InChI=1S/C23H27N3O5S/c1-14-7-9-15(10-8-14)26-19(28)12-16(20(26)17-6-5-11-32-17)21(29)31-13-18(27)24-22(30)25-23(2,3)4/h5-11,16,20H,12-13H2,1-4H3,(H2,24,25,27,30)/t16-,20+/m0/s1