tert-butyl 4-[4-(2-methylsulfanylphenyl)-1-oxidanylidene-butan-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-methylsulfanylphenyl)-1-oxidanylidene-butan-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-formyl-3-(2-methylsulfanylphenyl)propyl]piperidine-1-carboxylate CAS Name: 4-[4-[2-(methylthio)phenyl]-1-oxobutan-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-methylsulfanylphenyl)-1-oxobutan-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-formyl-3-[2-(methylthio)phenyl]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(CCC2=CC=CC=C2SC)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(CCC2=CC=CC=C2SC)C=O

InChI

InChI=1S/C21H31NO3S/c1-21(2,3)25-20(24)22-13-11-16(12-14-22)18(15-23)10-9-17-7-5-6-8-19(17)26-4/h5-8,15-16,18H,9-14H2,1-4H3