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

Systemtic Name: prop-2-enyl (2S,4S)-2-[(thiomorpholin-4-ylcarbonylamino)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[(thiomorpholine-4-carbonylamino)methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[[oxo(thiomorpholin-4-yl)methyl]amino]methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[(thiomorpholine-4-carbonylamino)methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(thiomorpholine-4-carbonylamino)methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid allyl ester Formula: C33H37N3O3S2 MolecularWeight: 587.79518

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CNC(=O)N2CCSCC2)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(=O)N2CCSCC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H37N3O3S2/c1-2-20-39-32(38)36-25-30(23-29(36)24-34-31(37)35-18-21-40-22-19-35)41-33(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h2-17,29-30H,1,18-25H2,(H,34,37)/t29-,30-/m0/s1