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

Systemtic Name: ethyl (4E)-4-methoxyimino-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-methoxyimino-piperidine-3-carboxylate CAS Name: (4E)-4-methoxyimino-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-methoxyimino-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-methyloximino-nipecotic acid ethyl ester Formula: C37H41N3O6S MolecularWeight: 655.80294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCC1=NOC)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\OC)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/C37H41N3O6S/c1-4-23-46-36(43)40-25-30(24-33(40)34(41)39-22-21-32(38-44-3)31(26-39)35(42)45-5-2)47-37(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h4,6-20,30-31,33H,1,5,21-26H2,2-3H3/b38-32+/t30-,31?,33-/m0/s1