tert-butyl 2-(2-methylsulfanylphenyl)-4-(1-oxidanylidenebutan-2-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-methylsulfanylphenyl)-4-(1-oxidanylidenebutan-2-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(1-formylpropyl)-2-(2-methylsulfanylphenyl)piperidine-1-carboxylate CAS Name: 2-[2-(methylthio)phenyl]-4-(1-oxobutan-2-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-methylsulfanylphenyl)-4-(1-oxobutan-2-yl)piperidine-1-carboxylate Traditional Name: 4-(1-formylpropyl)-2-[2-(methylthio)phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)C1CCN(C(C1)C2=CC=CC=C2SC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C=O)C1CCN(C(C1)C2=CC=CC=C2SC)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO3S/c1-6-15(14-23)16-11-12-22(20(24)25-21(2,3)4)18(13-16)17-9-7-8-10-19(17)26-5/h7-10,14-16,18H,6,11-13H2,1-5H3