prop-2-enyl (2S,4S)-2-[(pyrrolidin-1-ylcarbothioylamino)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[(pyrrolidin-1-ylcarbothioylamino)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[(pyrrolidine-1-carbothioylamino)methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[[1-pyrrolidinyl(sulfanylidene)methyl]amino]methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[(pyrrolidine-1-carbothioylamino)methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(pyrrolidine-1-carbothioylamino)methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid allyl ester Formula: C33H37N3O2S2 MolecularWeight: 571.79578

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CNC(=S)N2CCCC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1CNC(=S)N2CCCC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H37N3O2S2/c1-2-22-38-32(37)36-25-30(23-29(36)24-34-31(39)35-20-12-13-21-35)40-33(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h2-11,14-19,29-30H,1,12-13,20-25H2,(H,34,39)/t29-,30-/m0/s1