prop-2-enyl (2S,4S)-2-[2-(methylcarbamothioylamino)ethylcarbamoyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[2-(methylcarbamothioylamino)ethylcarbamoyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[2-(methylcarbamothioylamino)ethylcarbamoyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[2-[[methylamino(sulfanylidene)methyl]amino]ethylamino]-oxomethyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[2-(methylcarbamothioylamino)ethylcarbamoyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[2-(methylthiocarbamoylamino)ethylcarbamoyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid allyl ester Formula: C32H36N4O3S2 MolecularWeight: 588.78324

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCCNC(=O)C1CC(CN1C(=O)OCC=C)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CNC(=S)NCCNC(=O)[C@@H]1C[C@@H](CN1C(=O)OCC=C)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H36N4O3S2/c1-3-21-39-31(38)36-23-27(22-28(36)29(37)34-19-20-35-30(40)33-2)41-32(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h3-18,27-28H,1,19-23H2,2H3,(H,34,37)(H2,33,35,40)/t27-,28-/m0/s1