ethyl 1-[(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]isonipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5S/c1-3-27-21(26)16-9-12-23(13-10-16)20(25)18(11-14-29-2)22-19(24)15-28-17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3,(H,22,24)/t18-/m0/s1