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

Systemtic Name: ethyl (4E)-4-hydroxyimino-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (4E)-1-[(2S,4S)-1-allyloxycarbonyl-4-tritylsulfanyl-pyrrolidine-2-carbonyl]-4-hydroxyimino-piperidine-3-carboxylate CAS Name: (4E)-4-hydroxyimino-1-[oxo-[(2S,4S)-1-[oxo(prop-2-enoxy)methyl]-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-hydroxyimino-1-[(2S,4S)-1-prop-2-enoxycarbonyl-4-tritylsulfanylpyrrolidine-2-carbonyl]piperidine-3-carboxylate Traditional Name: (4E)-1-[(2S,4S)-1-allyloxycarbonyl-4-(tritylthio)prolyl]-4-hydroximino-nipecotic acid ethyl ester Formula: C36H39N3O6S MolecularWeight: 641.77636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCC1=NO)C(=O)C2CC(CN2C(=O)OCC=C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C\1CN(CC/C1=N\O)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/C36H39N3O6S/c1-3-22-45-35(42)39-24-29(23-32(39)33(40)38-21-20-31(37-43)30(25-38)34(41)44-4-2)46-36(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h3,5-19,29-30,32,43H,1,4,20-25H2,2H3/b37-31+/t29-,30?,32-/m0/s1