prop-2-enyl (2S,4S)-2-(isothiocyanatomethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-(isothiocyanatomethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-(isothiocyanatomethyl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-(isothiocyanatomethyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-(isothiocyanatomethyl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(isothiocyanatomethyl)-4-(tritylthio)pyrrolidine-1-carboxylic acid allyl ester Formula: C29H28N2O2S2 MolecularWeight: 500.67482

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CN=C=S)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1CN=C=S)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H28N2O2S2/c1-2-18-33-28(32)31-21-27(19-26(31)20-30-22-34)35-29(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-17,26-27H,1,18-21H2/t26-,27-/m0/s1