ethyl 4-oxidanyl-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 4-oxidanyl-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]carbonyl-piperidine-3-carboxylate Openeye Name: ethyl 1-[(2S,4S)-1-allyloxycarbonyl-4-tritylsulfanyl-pyrrolidine-2-carbonyl]-4-hydroxy-piperidine-3-carboxylate CAS Name: 4-hydroxy-1-[oxo-[(2S,4S)-1-[oxo(prop-2-enoxy)methyl]-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-tritylsulfanylpyrrolidine-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[(2S,4S)-1-allyloxycarbonyl-4-(tritylthio)prolyl]-4-hydroxy-nipecotic acid ethyl ester Formula: C36H40N2O6S MolecularWeight: 628.7776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCC1O)C(=O)C2CC(CN2C(=O)OCC=C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CN(CCC1O)C(=O)[C@@H]2C[C@@H](CN2C(=O)OCC=C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H40N2O6S/c1-3-22-44-35(42)38-24-29(23-31(38)33(40)37-21-20-32(39)30(25-37)34(41)43-4-2)45-36(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h3,5-19,29-32,39H,1,4,20-25H2,2H3/t29-,30?,31-,32?/m0/s1