prop-2-enyl (2S,4S)-2-[[(4-oxidanylpiperidin-1-yl)carbothioylamino]methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[[(4-oxidanylpiperidin-1-yl)carbothioylamino]methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[[(4-hydroxypiperidine-1-carbothioyl)amino]methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]amino]methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[[(4-hydroxypiperidine-1-carbothioyl)amino]methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[[(4-hydroxypiperidine-1-carbothioyl)amino]methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid allyl ester Formula: C34H39N3O3S2 MolecularWeight: 601.82176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CNC(=S)N2CCC(CC2)O)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)N2CCC(CC2)O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H39N3O3S2/c1-2-22-40-33(39)37-25-31(23-29(37)24-35-32(41)36-20-18-30(38)19-21-36)42-34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h2-17,29-31,38H,1,18-25H2,(H,35,41)/t29-,31-/m0/s1