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

Systemtic Name: tert-butyl 4-[4-(4-methylsulfanylphenyl)-2-oxidanylidene-butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-methylsulfanylphenyl)-2-oxo-butyl]piperidine-1-carboxylate CAS Name: 4-[4-[4-(methylthio)phenyl]-2-oxobutyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-methylsulfanylphenyl)-2-oxobutyl]piperidine-1-carboxylate Traditional Name: 4-[2-keto-4-[4-(methylthio)phenyl]butyl]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)CC(=O)CCC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)CCC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H31NO3S/c1-21(2,3)25-20(24)22-13-11-17(12-14-22)15-18(23)8-5-16-6-9-19(26-4)10-7-16/h6-7,9-10,17H,5,8,11-15H2,1-4H3