[(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester Formula: C23H33NO4S MolecularWeight: 419.57742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOC(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1)C)C

Isomeric SMILES

CC(=CCC/C(=C/COC(=O)[C@H](CCSC)NC(=O)OCC1=CC=CC=C1)/C)C

InChI

InChI=1S/C23H33NO4S/c1-18(2)9-8-10-19(3)13-15-27-22(25)21(14-16-29-4)24-23(26)28-17-20-11-6-5-7-12-20/h5-7,9,11-13,21H,8,10,14-17H2,1-4H3,(H,24,26)/b19-13+/t21-/m0/s1