dimethyl 2-[(1S)-3-tert-butylsulfanyl-1-cyclohexyl-3-oxidanylidene-propyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-3-tert-butylsulfanyl-1-cyclohexyl-3-oxidanylidene-propyl]propanedioate Openeye Name: dimethyl 2-[(1S)-3-tert-butylsulfanyl-1-cyclohexyl-3-oxo-propyl]propanedioate CAS Name: 2-[(1S)-3-(tert-butylthio)-1-cyclohexyl-3-oxopropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-3-tert-butylsulfanyl-1-cyclohexyl-3-oxopropyl]propanedioate Traditional Name: 2-[(1S)-3-(tert-butylthio)-1-cyclohexyl-3-keto-propyl]malonic acid dimethyl ester Formula: C18H30O5S MolecularWeight: 358.4928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(C1CCCCC1)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)SC(=O)C[C@@H](C1CCCCC1)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H30O5S/c1-18(2,3)24-14(19)11-13(12-9-7-6-8-10-12)15(16(20)22-4)17(21)23-5/h12-13,15H,6-11H2,1-5H3/t13-/m0/s1