tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-(4-methylsulfanylphenyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-(4-methylsulfanylphenyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4-(4-methylsulfanylphenyl)piperidine-1-carboxylate CAS Name: 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-[4-(methylthio)phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-(4-methylsulfanylphenyl)piperidine-1-carboxylate Traditional Name: 4-(1-cyano-2-ethoxy-2-keto-ethyl)-4-[4-(methylthio)phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C(C#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H30N2O4S/c1-6-27-19(25)18(15-23)22(16-7-9-17(29-5)10-8-16)11-13-24(14-12-22)20(26)28-21(2,3)4/h7-10,18H,6,11-14H2,1-5H3