tert-butyl 3-(2-oxidanylidenecyclohexyl)-2-(phenylmethylsulfanyl)propanoate

Systemtic Name: tert-butyl 3-(2-oxidanylidenecyclohexyl)-2-(phenylmethylsulfanyl)propanoate Openeye Name: tert-butyl 2-benzylsulfanyl-3-(2-oxocyclohexyl)propanoate CAS Name: 3-(2-oxocyclohexyl)-2-(phenylmethylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzylsulfanyl-3-(2-oxocyclohexyl)propanoate Traditional Name: 2-(benzylthio)-3-(2-ketocyclohexyl)propionic acid tert-butyl ester Formula: C20H28O3S MolecularWeight: 348.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1CCCCC1=O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1CCCCC1=O)SCC2=CC=CC=C2

InChI

InChI=1S/C20H28O3S/c1-20(2,3)23-19(22)18(13-16-11-7-8-12-17(16)21)24-14-15-9-5-4-6-10-15/h4-6,9-10,16,18H,7-8,11-14H2,1-3H3