[2-(tert-butylamino)-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1CC(=O)N(C1)C2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)C2=CC(=CC=C2)SC

InChI

InChI=1S/C18H24N2O4S/c1-18(2,3)19-15(21)11-24-17(23)12-8-16(22)20(10-12)13-6-5-7-14(9-13)25-4/h5-7,9,12H,8,10-11H2,1-4H3,(H,19,21)/t12-/m0/s1